SCHEMBL12568356

SCHEMBL12568356

CCCc1cc(-c2nc(C)c(C)o2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
ESR1 P03372 7/20 0.45
ESR2 Q92731 7/20 0.45
SNCA P37840 2/20 0.37
MAPT P10636 2/20 0.37
HTR7 P34969 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TARBP2 Q15633 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MCL1 Q07820 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL9863203 0.79 SNCA (0.46) ESR1ESR2SNCAMAPT
SCHEMBL5127450 0.76 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL30250904 0.76 ALOX5 (0.68) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL2006495 0.73 ALOX5 (0.47) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL9863217 0.72 ESR1 (0.54) ESR1ESR2SNCAMAPT
SCHEMBL12568336 0.71 ESR1 (0.50) ALOX5ESR1ESR2MAPTHTR7
SCHEMBL9862893 0.71 NPC1 (0.51) ESR1ESR2MAPTKDM4ENPSR1
SCHEMBL22219376 0.70 ALOX5 (0.60) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL2718730 0.70 ALOX5 (0.60) ALOX5ESR1ESR2GABRA1GABRB2
SCHEMBL3590075 0.69 HDAC6 (0.47) ESR1ESR2MAPT

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-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 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 (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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT ALOX5 88/4885ESR1 3881/4885ESR2 4215/4885

“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.