SCHEMBL5044087

SCHEMBL5044087

CC1(C)CCC(C)(C)c2c(OCc3ccc(C(F)(F)F)cc3)cc(C=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.41
MAOB P27338 5/20 0.39
MAOA P21397 2/20 0.38
TACR2 P21452 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PSEN1 P49768 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5048414 0.90 L3MBTL1 (0.38) MAOBMAOATACR2RXRARXRB
SCHEMBL5047166 0.87 MAOB (0.48) PTPN1MAOBMAOATACR2ALDH1A1
SCHEMBL5050784 0.86 MAOA (0.49) MAOBMAOATACR2ALDH1A1SMN1; SMN2
SCHEMBL6436625 0.81 MAOB (0.45) PTPN1MAOBMAOA
SCHEMBL5043999 0.76 MAOB (0.38) PTPN1MAOBRXRARXRBRXRG
SCHEMBL3068905 0.73 FDPS (0.42) PPARGALDH1A1SMN1; SMN2
SCHEMBL1406438 0.72 HNF4A (0.32) RXRA
SCHEMBL856842 0.72 ALDH1A1 (0.60) TACR2ALDH1A1SMN1; SMN2
SCHEMBL5217355 0.72 TACR2 (0.54) PTPN1MAOBMAOATACR2RXRA
SCHEMBL4945829 0.72 RXRA (0.46) MAOBRXRARXRBRXRG

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-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US disclosed
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG PTPN1 653/4885MAOB 2084/4885MAOA 2011/4885

“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.