SCHEMBL9945912

SCHEMBL9945912

CC(=O)c1cccc(C(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
LMNA P02545 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 2/20 0.45
FAAH O00519 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
GABRB1 P18505 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
HTR2B P41595 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL11782833 0.86 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL21132607 0.84 TSHR (0.37) LMNATSHRHPGDKCNK3KCNK9
SCHEMBL1535968 0.84 TSHR (0.53) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL16952312 0.83 LMNA (0.48) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1635308 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL29567244 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL24692389 0.82 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1536722 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL20365188 0.82 ACE2 (0.39) LMNASLC6A2HTR2BSMN1; SMN2
Hydrogen Peroxide SCHEMBL1652481 0.81 GABRA1 (0.48) GABRA1GABRG2GABRB3LMNAGABRB2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
EP-3000317-B1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM INTREXON CORP (US) 2017-07-12 EP disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-29 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
WO-2009140275-A1 ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS PHARMACOFORE, INC. (US) 2009-11-19 WO disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090252990-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-08 US disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 US disclosed
EP-2066150-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-03 EP 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 GABRA1 1032/4885GABRG2 836/4885GABRB3 350/4885
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 GABRA1 3315/4885GABRG2 4172/4885GABRB3 3804/4885
US-20090252990-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 GABRA1 3200/4885GABRG2 4064/4885GABRB3 3757/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 GABRA1 1087/4885GABRG2 1920/4885GABRB3 1892/4885
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 GABRA1 3608/4885GABRG2 4378/4885GABRB3 3976/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 GABRA1 4353/4885GABRG2 4673/4885GABRB3 4685/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 GABRA1 3597/4885GABRG2 4294/4885GABRB3 4119/4885
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same IK, TYR, EYA2 GABRA1 4267/4885GABRG2 4431/4885GABRB3 4379/4885
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ODC1, AOX1, OR10J3 GABRA1 3095/4885GABRG2 3868/4885GABRB3 3366/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 GABRA1 3507/4885GABRG2 4301/4885GABRB3 3949/4885

“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.