SCHEMBL6535843

SCHEMBL6535843

O=C(O)c1ccc2cc(-c3cc(O)c(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.80
RARB P10826 14/20 0.80
RARA P10276 10/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
KDM4E B2RXH2 1/20 0.80
ALDH1A1 P00352 1/20 0.80
TP53 P04637 1/20 0.80
CYP3A4 P08684 1/20 0.80
MAPT P10636 1/20 0.80
HPGD P15428 1/20 0.80
ALOX15 P16050 1/20 0.80
ALOX12 P18054 1/20 0.80
MAPK1 P28482 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
HSD17B10 Q99714 1/20 0.80
THRB P10828 1/20 0.67
RECQL P46063 1/20 0.67
NR2E1 Q9Y466 1/20 0.67
NR1I2 O75469 1/20 0.67

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
O-Demethylated Adapalene SCHEMBL174205 0.89 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29727107 0.89 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357288 0.89 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357074 0.89 RARG (1.00) RARGRARBRARAMEN1KMT2A
SCHEMBL2917291 0.88 RARG (0.73) RARGRARBRARAMEN1KMT2A
SCHEMBL6535734 0.85 RARG (0.80) RARGRARBRARAMEN1KMT2A
SCHEMBL2911001 0.85 RARG (0.73) RARGRARBRARAMEN1KMT2A
SCHEMBL13285215 0.85 RARG (0.76) RARGRARBRARAMEN1KMT2A
SCHEMBL8766318 0.84 RARG (0.77) RARGRARBRARAMEN1KMT2A
SCHEMBL6535711 0.83 RARG (0.83) RARGRARBRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1279902-C Apoptosis-inducing adamantyl derivatives and their use in the preparation of anti-cancer drugs GALDERMA RECH S DERMATOLOGIQUE (FR) 2006-10-18 CN claimed
EP-1272176-A4 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-29 EP claimed
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP claimed
US-20030073745-A1 Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents, especially for cervical cancers and dysplasias GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-04-17 US claimed
EP-1272176-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS Galderma Research & Development, S.N.C. (FR) 2003-01-08 EP claimed
WO-2001056563-A9 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2002-10-31 WO claimed
US-6462064-B1 SUCH AS 6-(3-(1-ADAMANTYL)-4-METHOXYPHENYL)-2-NAPHTHOIC ACID, 2-(3-(1-ADAMANTYL)-4-METHOXYPHENYL)-5-BENZIMIDAZOLE CARBOXY-LIC ACID, AND 6-(3-(1-ADAMANTYL)-4,5-METHYLENEDIOXYPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-10-08 US claimed
WO-2001056563-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-08-09 WO claimed
US-6127415-A ADAMANTYL DERIVATIVE CONTAINING-RETINOID RELATED COMPOUNDS AS ANTICARCINOGENIC AGENTS; SKIN DISORDERS;COSMETICS; AGING RESISTANCE; ALOPEIA GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-10-03 US claimed
CN-1230111-A Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents GALDERMA RES & DEV (FR) 1999-09-29 CN claimed
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP 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-20030073745-A1 Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents, especially for cervical cancers and dysplasias CASP3, BAD, RARA RARG 14/4885RARB 10/4885RARA 3/4885

“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.