SCHEMBL13748939

SCHEMBL13748939

COc1ccc(C(C)C)c(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ERN1 O75460 3/20 0.42
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL19383231 0.82 LMNA (0.48) CA1CA2CA7CA9ERN1
SCHEMBL15713204 0.82 CA1 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL12263333 0.80 CA1 (0.42) CA1CA2CA7CA9MAPT
SCHEMBL12534189 0.78 CA1 (0.41) CA1CA2CA7CA9MAPT
SCHEMBL19373797 0.78 CA1 (0.45) CA1CA2CA7CA9ERN1
SCHEMBL3486145 0.78 ADRA2A (0.37) ERN1MAPTLMNACYP3A4HPGD
SCHEMBL15105506 0.76 ACHE (0.43) ERN1MAPTLMNACYP3A4HPGD
SCHEMBL12380944 0.75 GABRA1 (0.46) CA1CA2LMNACYP3A4HPGD
SCHEMBL9335491 0.75 MAPK1 (0.46) CA1CA2ERN1MAPTLMNA
SCHEMBL5469559 0.75 MAPK1 (0.52) CA1CA2ERN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — US 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CA1 4880/4885CA2 4794/4885CA7 4487/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CA1 4880/4885CA2 4794/4885CA7 4487/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CA1 4880/4885CA2 4794/4885CA7 4487/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CA1 4880/4885CA2 4794/4885CA7 4487/4885

“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.

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