SCHEMBL6535850

SCHEMBL6535850

COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.55
PTPN1 P18031 1/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PARP1 P09874 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
HSD17B10 Q99714 2/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL31613816 0.88 CDC25B (0.64) CDC25BPTPN1KDM4EALDH1A1HPGD
SCHEMBL2510203 0.88 CDC25B (0.64) CDC25BPTPN1KDM4EALDH1A1HPGD
SCHEMBL14052345 0.86 PARP1 (0.50) CDC25BHPGDPARP1LMNACNR1
SCHEMBL14052469 0.82 HPGD (0.64) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3013825 0.78 HSD17B1 (0.67) SMN1; SMN2NPC1RAB9AHDAC4HDAC2
SCHEMBL3327762 0.78 MTNR1A (0.70) CDC25BKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13241099 0.76 CYP1A2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1162404 0.76 CDC25B (0.80) CDC25BKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2099558 0.76 PTPN1 (0.57) CDC25BPTPN1KDM4EALDH1A1HPGD
SCHEMBL13828205 0.76 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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 14 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 disclosed
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
CN-1230111-A Apoptosis inducing adamantyl derivatives and their usage as anti-cancer agents GALDERMA RES & DEV (FR) 1999-09-29 CN 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 CDC25B 121/4885PTPN1 2845/4885KDM4E 1213/4885

“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.