SCHEMBL6981366

SCHEMBL6981366

COC(=O)c1cc(C(=O)CC#N)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
XDH P47989 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
PTGS2 P35354 1/20 0.44
LMNA P02545 2/20 0.44
EGFR P00533 3/20 0.43
NOX4 Q9NPH5 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 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
SCHEMBL10735676 0.81 CA12 (0.59) HSD17B10HPGDTSHRCA12CA1
SCHEMBL30016749 0.80 CA12 (0.57) HSD17B10HPGDTSHRCA12CA1
SCHEMBL6029423 0.80 CA12 (0.57) HSD17B10HPGDTSHRCA12CA1
SCHEMBL753410 0.79 CA1 (0.52) HSD17B10HPGDTSHRCA12CA1
SCHEMBL403210 0.79 CA12 (0.71) HSD17B10HPGDTSHRCA12CA1
SCHEMBL12694462 0.79 MEN1 (0.65) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21694382 0.79 PTPN11 (0.50) HSD17B10HPGDCA12CA1CA2
SCHEMBL30237946 0.79 PTPN11 (0.50) HSD17B10HPGDCA12CA1CA2
SCHEMBL31387692 0.77 KDM4E (0.50) HSD17B10HPGDCA12CA1CA2
SCHEMBL6213492 0.77 KDM4E (0.50) HSD17B10HPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 HSD17B10 1154/4885HPGD 1184/4885TSHR 1530/4885

“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.