SCHEMBL6859892

SCHEMBL6859892

COc1ccc2[nH]c(C(C)C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
PTGS1 P23219 2/20 0.57
CYP1A2 P05177 2/20 0.57
TSHR P16473 2/20 0.57
PDGFRB P09619 2/20 0.57
PDGFRA P16234 2/20 0.57
CDC42 P60953 1/20 0.57
RAC1 P63000 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL30176381 0.81 AXL (0.61) CYP1A2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL12356941 0.81 AXL (0.61) CYP1A2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL2494143 0.80 SMAD3 (0.54) PTGS2PDGFRBPDGFRAFLT3
SCHEMBL12826826 0.79 CYP2A6 (0.49) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL9316804 0.79 PDGFRB (0.50) PTGS2AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL10435155 0.78 AXL (0.57) CYP1A2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL29875597 0.76 ALOX5 (0.57) PTGS2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL1767751 0.76 ALOX5 (0.57) PTGS2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL9316811 0.76 PDGFRB (0.50) CYP1A2TSHRPDGFRBPDGFRAKDM4E
SCHEMBL9594608 0.76 PDGFRB (0.50) CYP1A2TSHRPDGFRBPDGFRAKDM4E

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-6790845-B2 HAVING AN ATTACHED NON-AROMATIC HETEROCYCLIC RING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-14 US disclosed
US-20030087909-A1 Fused heterocyclic inhibitors of factor Xa BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 US disclosed
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 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-20030087909-A1 Fused heterocyclic inhibitors of factor Xa TFPI, F11, F12 PTGS2 1523/4885AKR1C3 1612/4885AKR1C2 1935/4885

“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.