SCHEMBL4158914

SCHEMBL4158914

Oc1cc2ccccc2c2sc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ESR2 Q92731 2/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 2/20 0.44
PTPN1 P18031 1/20 0.43
NQO2 P16083 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
GPR3 P46089 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
NQO1 P15559 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4159164 0.87 TRPM4 (0.47) TRPM4MAOAMAOBESR2ESR1
SCHEMBL27148532 0.85 TRPM4 (0.52) TRPM4MAOAMAOBALOX5NQO2
SCHEMBL30726773 0.85 TRPM4 (0.52) TRPM4MAOAMAOBALOX5NQO2
SCHEMBL18049796 0.82 TRPM4 (0.42) TRPM4MAOAMAOBESR2ESR1
SCHEMBL24295940 0.81 GPR3 (0.41) PTPN1NQO2ALDH1A1GPR3MAPT
SCHEMBL15003463 0.80 PTPN1 (0.46) ALOX5PTPN1NQO2ALDH1A1GPR3
SCHEMBL26380615 0.80 MAPT (0.46) PTPN1NQO2ALDH1A1GPR3MAPT
SCHEMBL15003435 0.80 GPR3 (0.40) ALOX5PTPN1NQO2ALDH1A1ALOX15
SCHEMBL15003530 0.80 MAPT (0.42) ALOX5PTPN1NQO2ALDH1A1ALOX15
SCHEMBL18790548 0.77 MEN1 (0.42) ALOX5PTPN1NQO2ALDH1A1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320201-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LT MATERIALS CO.,LTD. (KR) 2023-10-05 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO 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 (2 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 TRPM4 1074/4885MAOA 541/4885MAOB 742/4885
US-20230320201-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CRY1, CYP1B1, CYP1A1 TRPM4 330/4885MAOA 794/4885MAOB 730/4885

“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.