SCHEMBL6535581

SCHEMBL6535581

O=C(O)c1ccc2cc(-c3ccc4c(c3)OCO4)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
MAPK1 P28482 1/20 0.70
SRD5A2 P31213 1/20 0.58
RARB P10826 3/20 0.56
RARG P13631 3/20 0.56
RARA P10276 2/20 0.56
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
CTNNB1 P35222 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TP53 P04637 1/20 0.48
DHODH Q02127 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL2945422 0.87 ALDH1A1 (0.73) ALDH1A1MAPK1SRD5A2GABRA1GABRB2
SCHEMBL10416950 0.85 ALDH1A1 (0.70) ALDH1A1MAPK1SRD5A2RARBRARG
Piperonylic Acid SCHEMBL3946119 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1SRD5A2CTNNB1KDM4E
Piperonylic Acid SCHEMBL142318 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1SRD5A2CTNNB1KDM4E
Piperonylic Acid SCHEMBL31119409 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1SRD5A2CTNNB1KDM4E
Piperonylic Acid SCHEMBL1184937 0.81 ALDH1A1 (0.96) ALDH1A1MAPK1SRD5A2CTNNB1PKM
SCHEMBL13900230 0.81 RARB (0.64) ALDH1A1MAPK1RARBRARGRARA
SCHEMBL1249312 0.80 CTNNB1 (0.64) ALDH1A1MAPK1CTNNB1KDM4EPKM
SCHEMBL5827808 0.79 SIRT2 (0.64) ALDH1A1MAPK1GABRA1GABRB2KDM4E
SCHEMBL30526912 0.79 RARB (0.62) ALDH1A1MAPK1RARBRARGRARA

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 12 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 disclosed
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP disclosed
US-6825226-B2 ANTICANCER AGENTS; UROGENITAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-30 US disclosed
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 disclosed
EP-1272176-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS Galderma Research & Development, S.N.C. (FR) 2003-01-08 EP disclosed
WO-2001056563-A9 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2002-10-31 WO disclosed
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 disclosed
WO-2001056563-A1 ADAMANTYL DERIVATIVES AS ANTI-CANCER AGENTS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-08-09 WO disclosed
EP-0920312-A4 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2000-11-02 EP disclosed
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 disclosed
EP-0920312-A1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS Galderma Research & Development (FR) 1999-06-09 EP disclosed
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 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 ALDH1A1 92/4885MAPK1 800/4885SRD5A2 1625/4885

“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.