SCHEMBL4178450

SCHEMBL4178450

CCOC(=O)c1ccc(C#N)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 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
SCHEMBL20944310 0.89 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL20267365 0.88 ALDH1A1 (0.50) TSHRNPSR1MAPK1SMN1; SMN2KDM4E
SCHEMBL6883767 0.87 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL286232 0.86 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL25783698 0.85 POLB (0.44) NPSR1MAPK1SMN1; SMN2TP53THRB
SCHEMBL24112451 0.85 POLB (0.45) TP53THRBALDH1A1MAPTGAA
SCHEMBL5736404 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8303701 0.84 GAA (0.48) NPSR1MAPK1SMN1; SMN2KDM4ETP53
SCHEMBL22852764 0.83 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL7992182 0.83 CYP4F2 (0.48) CA12CA1CA2CA7CA9

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
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
US-4659502-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-04-21 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 (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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG CA12 3825/4885CA1 3143/4885CA2 4497/4885

“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.