SCHEMBL4159164

SCHEMBL4159164

Oc1cc2ccccc2c2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.47
ALOX5 P09917 2/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PTPN1 P18031 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NQO2 P16083 2/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
NQO1 P15559 1/20 0.41
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
GPR3 P46089 1/20 0.40
MAPT P10636 3/20 0.40
HCRTR1 O43613 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4158914 0.87 TRPM4 (0.48) TRPM4ALOX5TNKSTNKS2PTPN1
SCHEMBL22228567 0.85 TRPM4 (0.47) TRPM4ALOX5PTPN1MAOAMAOB
SCHEMBL18049802 0.81 NQO2 (0.41) TRPM4ALOX5PTPN1MAOAMAOB
SCHEMBL18049804 0.80 TRPM4 (0.42) TRPM4ALOX5PTPN1MAOAMAOB
SCHEMBL16283926 0.79 ALDH1A1 (0.46) TNKSTNKS2PTPN1MAOANQO2
SCHEMBL17383050 0.79 NQO2 (0.44) ALOX5TNKSTNKS2PTPN1NQO2
SCHEMBL14951318 0.79 PTPN1 (0.46) ALOX5TNKSTNKS2PTPN1NQO2
SCHEMBL9950434 0.78 MAPT (0.42) ALOX5TNKSTNKS2PTPN1NQO2
SCHEMBL18049820 0.77 CYP1A1 (0.43) TRPM4ALOX5TNKSTNKS2NQO2
SCHEMBL19197073 0.76 MEN1 (0.42) ALOX5TNKSTNKS2PTPN1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1074/4885ALOX5 156/4885TNKS 1133/4885

“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.