SCHEMBL6536170

SCHEMBL6536170

COC(=O)c1ccc(Oc2cc(OCc3ccccc3)c(OC)cc2C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.46

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
SCHEMBL6536260 0.90 ERN1 (0.48) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL8350285 0.88 ALDH1A1 (0.53) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6787403 0.81 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL551218 0.81 LMNA (0.56) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL1067302 0.80 ALDH1A1 (0.58) HDAC8SMN1; SMN2MAPTHPGDNPC1
SCHEMBL5883076 0.80 MRGPRX4 (0.53) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13888171 0.78 SMPD1 (0.45) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL30362231 0.78 LMNA (0.56) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL15754441 0.78 LMNA (0.56) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6693981 0.77 RAB9A (0.56) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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 SMPD1 299/4885HDAC1 853/4885HDAC8 1150/4885

“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.