SCHEMBL1102397

SCHEMBL1102397

CC(C)c1ccc2c(c1)c1ccccc1n2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.59
KDM4E B2RXH2 6/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RORA P35398 1/20 0.51
RORC P51449 1/20 0.51
RORB Q92753 1/20 0.51
PABPC1 P11940 1/20 0.45
KIF11 P52732 2/20 0.45
NPY5R Q15761 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
FTO Q9C0B1 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL12083594 0.90 RORA (0.46) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL1102532 0.89 GPR3 (0.55) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL12570842 0.89 GPR3 (0.59) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL8091816 0.86 NPC1 (0.56) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL15783209 0.86 GPR3 (0.52) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL25765615 0.85 MEN1 (0.58) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL21374983 0.84 GPR3 (0.53) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL24667564 0.84 RORC (0.47) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL27276344 0.83 RORA (0.44) GPR3KDM4EMAPTALDH1A1HPGD
SCHEMBL12083593 0.83 GPR3 (0.52) GPR3KDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215444-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-06-27 US disclosed
US-9593069-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2016-10-13 US disclosed
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2016-02-11 US disclosed
US-9162968-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-10-20 US disclosed
US-9112159-B2 Bipolar hosts for light emitting devices NITTO DENKO CORPORATION (JP) 2015-08-18 US disclosed
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2014-12-18 US disclosed
US-20140163237-A1 BIPOLAR HOSTS FOR LIGHT EMITTING DEVICES Nitto Denko Corportion (JP) 2014-06-12 US disclosed
US-8722939-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2014-05-13 US disclosed
US-8716489-B2 Oxadiazole derivative, light-emitting element material, light-emitting element, light-emitting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-06 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-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC. (KR) 2009-11-26 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273277-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-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

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

For each of this compound's patents that has machine-readable text (10 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 2280/4885KDM4E 3940/4885MAPT 3625/4885
US-20240215444-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME NFE2L2, SLC1A2, CRY1 GPR3 3733/4885KDM4E 2828/4885MAPT 2246/4885
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 GPR3 2495/4885KDM4E 3872/4885MAPT 3474/4885
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OXER1, L1CAM, RPL41 GPR3 744/4885KDM4E 4525/4885MAPT 3423/4885
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GPR3 1984/4885KDM4E 1392/4885MAPT 259/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B GPR3 1984/4885KDM4E 1392/4885MAPT 259/4885
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 3079/4885KDM4E 3298/4885MAPT 1948/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 GPR3 1503/4885KDM4E 3367/4885MAPT 3162/4885
US-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES CRY1, ALDH1A2, CRY2 GPR3 2778/4885KDM4E 3735/4885MAPT 970/4885
US-20090288707-A1 Novel compounds for electronic material and organic electronic device using the same OCIAD1, OCIAD2, ORMDL3 GPR3 3460/4885KDM4E 3509/4885MAPT 1219/4885

“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.