SCHEMBL6536260

SCHEMBL6536260

COC(=O)c1cccc(Oc2cc(OCc3ccccc3)c(OC)cc2C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.48
MRGPRX4 Q96LA9 4/20 0.46
SMPD1 P17405 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 1/20 0.46
PPIA P62937 1/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
NR4A2 P43354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6536170 0.90 SMPD1 (0.50) ERN1SMPD1HDAC1HDAC8HDAC6
SCHEMBL8350285 0.86 ALDH1A1 (0.53) ERN1SMPD1HDAC1HDAC8HDAC6
SCHEMBL5883076 0.85 MRGPRX4 (0.53) ERN1MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL1270780 0.84 HDAC8 (0.49) ERN1MRGPRX4SMPD1HDAC8MAOB
SCHEMBL6787403 0.79 SMPD1 (0.53) ERN1SMPD1HDAC1HDAC8HDAC6
SCHEMBL551218 0.79 LMNA (0.56) ERN1SMPD1HDAC1HDAC8HDAC6
SCHEMBL1067302 0.78 ALDH1A1 (0.58) ERN1HDAC8HPGDLMNASMN1; SMN2
SCHEMBL30412034 0.77 MAOB (0.73) MRGPRX4SMPD1MAOBHPGDLMNA
SCHEMBL976424 0.77 MAOB (0.73) MRGPRX4SMPD1MAOBHPGDLMNA
SCHEMBL30362231 0.77 LMNA (0.56) ERN1SMPD1HDAC1HDAC8HDAC6

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
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
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
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP 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 1774/4885MRGPRX4 1501/4885SMPD1 299/4885

“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.