SCHEMBL6535828

SCHEMBL6535828

O=C(O)c1ccc2cc(-c3ccc(OC[C@@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 1.00
RARB P10826 11/20 1.00
RARA P10276 11/20 1.00
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
NR1I2 O75469 1/20 0.68
LMNA P02545 1/20 0.68
PGR P06401 1/20 0.68
HSPD1 P10809 1/20 0.68
GOT1 P17174 1/20 0.68
GLRA1 P23415 1/20 0.68
BLM P54132 1/20 0.68
HSPE1 P61604 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL8766479 1.00 RARG (1.00) RARGRARBRARAMEN1KMT2A
SCHEMBL5080308 1.00 RARG (1.00) RARGRARBRARAMEN1KMT2A
SCHEMBL6573837 0.90 RARB (0.81) RARGRARBRARAMEN1KMT2A
SCHEMBL8765776 0.90 RARB (0.81) RARGRARBRARAMEN1KMT2A
SCHEMBL8765820 0.87 RARB (0.76) RARGRARBRARAMEN1KMT2A
SCHEMBL5081246 0.85 RARB (0.74) RARGRARBRARAMEN1KMT2A
SCHEMBL8766163 0.85 RARG (0.74) RARGRARBRARAMEN1KMT2A
SCHEMBL13980240 0.84 RARB (0.72) RARGRARBRARAMEN1KMT2A
SCHEMBL8765772 0.83 RARB (0.71) RARGRARBRARAMEN1KMT2A
SCHEMBL9123438 0.83 RARB (0.71) 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 9 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
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-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.