SCHEMBL6780641

SCHEMBL6780641

COc1cc(C=O)c(-c2ccccc2C(=O)O)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.63
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
CGAS Q8N884 1/20 0.43
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL6782462 0.84 ERN1 (0.58) ERN1HPGDMAPTKDM4ERAB9A
SCHEMBL6781623 0.84 ERN1 (0.67) ERN1HPGDMAPTKDM4ELMNA
SCHEMBL6783006 0.83 ERN1 (0.51) ERN1HPGDMAPTKDM4ELMNA
SCHEMBL6782947 0.82 ERN1 (0.49) ERN1HPGDMAPTKDM4EMEN1
SCHEMBL6536370 0.81 ERN1 (0.51) ERN1HPGDMAPTKDM4ELMNA
SCHEMBL6536111 0.81 ERN1 (0.61) ERN1HPGDMAPTKDM4EMEN1
SCHEMBL6535907 0.81 ERN1 (0.61) ERN1HPGDKDM4EMEN1KMT2A
SCHEMBL6536013 0.80 ERN1 (0.47) ERN1HPGDMAPTKDM4ECYP3A4
SCHEMBL6781839 0.78 ERN1 (0.46) ERN1HPGDMAPTKDM4EHSD17B10
SCHEMBL6781294 0.78 HTT (0.59) ERN1MAPTKDM4ELMNANPC1

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-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ERN1 1774/4885HPGD 780/4885MAPT 4276/4885

“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.