SCHEMBL1531092

SCHEMBL1531092

Oc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.55
▸ MAPK1 P28482 5/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MCL1 Q07820 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RBP4 P02753 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ CFTR P13569 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL2360520 0.74 HCAR2 (0.52) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL1490037 0.73 HPGD (0.47) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL20108 0.73 ALOX15 (0.43) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL30442982 0.73 ALOX15 (0.43) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL12806748 0.72 ALOX15 (1.00) ALOX15MAPK1HSD17B10TP53HPGD
Lithium SCHEMBL31258223 0.71 ALOX15 (0.42) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL22861454 0.71 ALOX15 (0.42) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL21614018 0.71 ALOX15 (0.42) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL1770329 0.71 SMN1; SMN2 (0.46) ALOX15MAPK1HSD17B10TP53HPGD
SCHEMBL8448440 0.71 ALOX15 (0.42) ALOX15MAPK1HSD17B10TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 — — EP disclosed
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 — — EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 — — EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 — — US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 — — US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 — — US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 — — EP disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 — — WO disclosed
US-4855442-A Substituted 3-hydroxy pyrazoles MONSANTO COMPANY (US) 1989-08-08 — — 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 (2 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 ALOX15 813/4885MAPK1 1182/4885HSD17B10 226/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 ALOX15 813/4885MAPK1 1182/4885HSD17B10 226/4885

“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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