SCHEMBL4506592

SCHEMBL4506592

CC1(C)CC=C(c2ccc(OCc3ccccc3)cc2)c2ccc(C=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
GSTP1 P09211 2/20 0.43
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
RXRA P19793 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
PTPN1 P18031 2/20 0.43
RAB9A P51151 2/20 0.41
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP1 P11387 1/20 0.39
KCNA3 P22001 1/20 0.39
LCK P06239 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL6249173 0.83 GSTP1 (0.46) MAOBMAOAGSTP1RARARARB
SCHEMBL4506244 0.83 RARA (0.38) RARARARBRARGRXRANR2E1
SCHEMBL7874221 0.79 RARA (0.74) RARARARBRARGRXRANR2E1
SCHEMBL4507988 0.78 RARB (0.49) RARARARBRARGRXRANR2E1
SCHEMBL4510658 0.78 RARA (0.39) GSTP1RARARARBRARGMCL1
SCHEMBL7811795 0.77 RARA (0.62) MAOBRARARARBRARGRXRA
SCHEMBL4495653 0.75 CYP2A6 (0.44) MAOBMAOARARARARBRARG
SCHEMBL8771704 0.75 RARA (0.70) RARARARBRARGRXRANR2E1
SCHEMBL4499908 0.74 RARA (0.54) RARARARBRARGRXRANR2E1
SCHEMBL21982918 0.73 MAOB (0.51) MAOBMAOAGSTP1PTPN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 US disclosed
EP-1565433-B1 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2007-03-14 EP disclosed
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-10-20 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-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA MAOB 866/4885MAOA 744/4885GSTP1 798/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA MAOB 834/4885MAOA 715/4885GSTP1 798/4885

“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.