SCHEMBL13581237

SCHEMBL13581237

CCCCCOc1cc(N)ccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MCHR1 Q99705 1/20 0.39
FFAR4 Q5NUL3 5/20 0.39
PDK2 Q15119 2/20 0.39
PTPN11 Q06124 2/20 0.39
FFAR1 O14842 4/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 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
SCHEMBL12953543 0.99 TSHR (0.44) TSHRCNR1CNR2MCHR1FFAR4
SCHEMBL1242339 0.87 KDM4E (0.42) TSHRCNR2MCHR1FFAR4FFAR1
SCHEMBL10337464 0.85 TSHR (0.47) TSHRCNR1CNR2MCHR1PTPN11
SCHEMBL11856053 0.84 RAB9A (0.53) TSHRPTPN11KDM4ENPC1RAB9A
SCHEMBL1241565 0.82 KDM4E (0.49) MCHR1FFAR4FFAR1KDM4EMEN1
SCHEMBL12952717 0.80 CYP19A1 (0.48) TSHRCNR1CNR2NPC1RAB9A
SCHEMBL13581046 0.80 SCN5A (0.50) TSHRFFAR4MEN1ALDH1A1GAA
SCHEMBL1238745 0.80 CYP1A2 (0.44) TSHRMCHR1FFAR4PTPN11FFAR1
SCHEMBL9060074 0.80 FFAR4 (0.42) MCHR1FFAR4PDK2PTPN11FFAR1
SCHEMBL13581226 0.79 CYP19A1 (0.50) CNR1CNR2PTPN11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TSHR 884/4885CNR1 1715/4885CNR2 3482/4885

“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.