SCHEMBL3068905

SCHEMBL3068905

COCCOc1cc(C=O)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
EGFR P00533 4/20 0.38
MAPT P10636 6/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
RARG P13631 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
PPARG P37231 1/20 0.32
TNFRSF1A P19438 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
SCHEMBL3062968 0.87 FDPS (0.38) FDPSMAPTLMNASMN1; SMN2HTT
SCHEMBL5050784 0.77 MAOA (0.49) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5047166 0.76 MAOB (0.48) SMN1; SMN2ALDH1A1HPGD
SCHEMBL5048414 0.74 L3MBTL1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15367718 0.74 RARG (0.40) RARGRARARARBPPARG
SCHEMBL5044087 0.73 PTPN1 (0.41) SMN1; SMN2ALDH1A1PPARG
SCHEMBL1406438 0.72 HNF4A (0.32) RARGRARARARB
SCHEMBL3052878 0.72 RARG (0.35) EGFRRARGRARARARBPPARG
SCHEMBL15362748 0.71 PPARG (0.33) RARGCYP1A2RARARARBPPARG
SCHEMBL16317572 0.70 RARG (0.38) RARGRARARARBPPARG

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
US-8765805-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-07-01 US disclosed
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-08-23 US disclosed
US-8188106-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-29 US disclosed
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-28 US disclosed
US-7767650-B2 Ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-03 US disclosed
EP-1694627-B1 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2009-05-27 EP disclosed
US-20070117761-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-24 US disclosed
EP-1694627-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-08-30 EP disclosed
WO-2005056510-A2 NOVEL LIGANDS THAT ARE ACTIVATORS OF THE RAR RECEPTORS, USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-23 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 (3 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-20070117761-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG FDPS 3305/4885EGFR 201/4885MAPT 4763/4885
US-20100273883-A1 Novel ligand activators of the RAR receptors and pharmaceutical/cosmetic applications thereof RARA, RARB, RARG FDPS 3305/4885EGFR 201/4885MAPT 4763/4885
US-20120214869-A1 NOVEL LIGAND ACTIVATORS OF THE RAR RECEPTORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF RARA, RARB, RARG FDPS 3305/4885EGFR 201/4885MAPT 4763/4885

“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.