SCHEMBL5268060

SCHEMBL5268060

COc1cccc(C2=CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 1/20 0.44

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
SCHEMBL1257312 0.95 RAB9A (0.50) NCOA1NCOA3DYRK1ACLK4GAA
SCHEMBL9377137 0.87 DYRK1A (0.50) NCOA1NCOA3DYRK1ACLK4GAA
SCHEMBL19288648 0.82 HRH2 (0.40) NCOA1NCOA3DYRK1ACLK4GAA
SCHEMBL31240857 0.82 PDGFRB (0.46) RAB9ANPC1CYP1A1CYP1A2CYP2E1
SCHEMBL1630255 0.81 NPC1 (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2A6
SCHEMBL14704908 0.81 CD274 (0.46) NCOA1NCOA3DYRK1ACLK4GAA
SCHEMBL14704745 0.80 QDPR (0.51) NCOA1NCOA3GAACYP1A2CYP3A4
SCHEMBL8939884 0.80 KCNH2 (0.47) CLK4RAB9ANPC1CA1CA2
SCHEMBL2572521 0.79 PRMT5 (0.46) PDGFRBPDGFRA
SCHEMBL16566323 0.79 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2

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-1420771-B9 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES SOLVAY PHARM GMBH (DE) 2007-10-17 EP disclosed
EP-1420771-B1 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES SOLVAY PHARM GMBH (DE) 2006-09-06 EP disclosed
US-6930207-B2 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment SOLVAY PHARMACEUTICAL GMBH (DE) 2005-08-16 US disclosed
US-20040214901-A1 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment SOLVAY PHARMACEUTICALS GMBH (DE) 2004-10-28 US disclosed
EP-1420771-A2 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES Solvay Pharmaceuticals GmbH (DE) 2004-05-26 EP disclosed
WO-2003007923-A2 USE OF TRIFLUOROACETYL ALKYL-SUBSTITUTED PHENYL DERIVATIVES, PHENOL DERIVATIVES, AND BENZOYL DERIVATIVES IN THE TREATMENT AND/OR PROPHYLAXIS OF OBESITY AND ACCOMPANYING DISEASES AND/OR SECONDARY DISEASES SOLVAY PHARMACEUTICALS GMBH (DE) 2003-01-30 WO disclosed
US-4291059-A 1-PHENYLCYCLOPENTANOL ACYLATE ESTER AND ITS PREPARATION GLAXO GROUP LIMITED (GB) 1981-09-22 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-20040214901-A1 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment PNLIP, LIPC, CEL NCOA1 105/4885NCOA3 119/4885DYRK1A 2381/4885

“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.