SCHEMBL1102404

SCHEMBL1102404

CC(C)c1cccc2c1sc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
PARP14 Q460N5 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 3/20 0.41
SLC9A1 P19634 2/20 0.40
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
HPGD P15428 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29398001 0.86 MAPT (0.48) GPR3MAPTSLC9A1HPGDLMNA
SCHEMBL108905 0.86 MAPT (0.48) GPR3MAPTSLC9A1HPGDLMNA
SCHEMBL29184003 0.86 GABRA1 (0.46) SLC9A1GABRA1GABRB2HPGDGABRG2
SCHEMBL23056977 0.85 GPR3 (0.45) GPR3PARP14ALOX5MAPTSLC9A1
SCHEMBL22161912 0.85 GPR3 (0.45) GPR3PARP14ALOX5MAPTHPGD
SCHEMBL9963712 0.82 TSHR (0.46) GPR3PARP14ALOX5MAPTLMNA
SCHEMBL20160627 0.82 TSHR (0.46) GPR3PARP14ALOX5MAPTLMNA
Cycloheptane SCHEMBL23089052 0.82 MAPT (0.44) MAPTSLC9A1HPGDLMNACYP1A2
SCHEMBL14295234 0.81 MAPT (0.46) GPR3PARP14ALOX5MAPTSLC9A1
SCHEMBL23776184 0.81 LMNA (0.36) MAPTSLC9A1GABRA1GABRB2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244860-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244860-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-16 US disclosed
US-20230348510-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-20230348510-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 US disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 US disclosed
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090260686-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, FZD7 GPR3 2280/4885PARP14 3473/4885ALOX5 200/4885
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 2804/4885PARP14 3505/4885ALOX5 39/4885
US-11778904-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 GPR3 1511/4885PARP14 4284/4885ALOX5 481/4885
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OXER1, L1CAM, RPL41 GPR3 744/4885PARP14 2139/4885ALOX5 1545/4885
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A GPR3 1434/4885PARP14 3303/4885ALOX5 2373/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG GPR3 427/4885PARP14 2333/4885ALOX5 123/4885
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 3079/4885PARP14 3560/4885ALOX5 44/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 GPR3 1503/4885PARP14 3326/4885ALOX5 9/4885
US-20230348510-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OXER1, OXSR1 GPR3 727/4885PARP14 864/4885ALOX5 2446/4885
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 3960/4885PARP14 3412/4885ALOX5 118/4885
US-20230371358-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIFR, SOD1, ROS1 GPR3 124/4885PARP14 1993/4885ALOX5 2625/4885
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 3460/4885PARP14 3474/4885ALOX5 112/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.