SCHEMBL6535403

SCHEMBL6535403

COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.64
EPHX2 P34913 1/20 0.64
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
RARA P10276 1/20 0.47
HSPD1 P10809 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 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
CHEK2 O96017 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL6535398 0.92 ALOX5 (0.52) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL7786850 0.89 NPC1 (0.53) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL7786884 0.88 RARA (0.49) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL3807977 0.85 RARA (0.67) MEN1NR1I2LMNAPGRRARA
SCHEMBL7786848 0.83 LMNA (0.50) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL7786877 0.82 RARA (0.49) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL7786900 0.81 PDE4A (0.53) ALOX5EPHX2MEN1NR1I2LMNA
SCHEMBL3807973 0.79 RARB (0.67) MEN1NR1I2LMNAPGRRARA
SCHEMBL13550931 0.78 RARB (0.69) MEN1NR1I2LMNAPGRRARA
SCHEMBL29869357 0.78 RARB (0.69) MEN1NR1I2LMNAPGRRARA

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 13 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-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 ALOX5 857/4885EPHX2 2188/4885MEN1 3769/4885

“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.