SCHEMBL6535745

SCHEMBL6535745

COc1ccc(C(O)COc2ccc(C(=O)O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.47
RARB P10826 4/20 0.47
RARG P13631 4/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
S1PR1 P21453 1/20 0.47
CYP26A1 O43174 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP26B1 Q9NR63 1/20 0.44
CYP19A1 P11511 1/20 0.41
HDAC11 Q96DB2 2/20 0.39

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
SCHEMBL9292104 0.82 RARA (0.55) RARARARBRARGLMNAMEN1
SCHEMBL8442941 0.82 RARA (0.54) RARARARBRARGLMNAMEN1
SCHEMBL8908401 0.81 S1PR1 (0.54) RARARARBRARGLMNAMEN1
SCHEMBL5081692 0.78 RARA (0.56) RARARARBRARGLMNAMEN1
SCHEMBL8907630 0.77 CYP19A1 (0.46) RARARARBRARGMEN1KMT2A
SCHEMBL5084224 0.77 CYP26A1 (0.72) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9622397 0.76 RARA (0.53) RARARARBRARGLMNAMEN1
SCHEMBL9622366 0.75 RARB (0.59) RARARARBRARGLMNAMEN1
SCHEMBL28911910 0.75 CYP3A4 (0.49) LMNAMEN1PGRKMT2ATDP1
SCHEMBL8907898 0.73 CYP26A1 (0.69) RARARARBRARGCYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2000515506-A 2000-11-21 JP claimed
EP-0920312-A4 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2000-11-02 EP 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
EP-0920312-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS Galderma Research & Development (FR) 1999-06-09 EP claimed
WO-1998001132-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-15 WO claimed
EP-0514264-B1 Biaromatic compounds derived from compounds having a salicylic configuration, their preparation process and their use in human and veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1995-11-15 EP claimed
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP disclosed
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 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-20030073745-A1 Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents, especially for cervical cancers and dysplasias CASP3, BAD, RARA RARA 3/4885RARB 10/4885RARG 14/4885

“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.