SCHEMBL6033366

SCHEMBL6033366

Oc1cc(Br)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
RARB P10826 4/20 0.40
RARA P10276 4/20 0.40
RARG P13631 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL178123 0.86 MEN1 (0.51) MEN1KMT2APOLBGAAGFER
SCHEMBL7687459 0.82 MEN1 (0.59) MEN1KMT2APOLBGAAGFER
SCHEMBL2420330 0.81 MEN1 (0.50) MEN1KMT2APOLBGAAGFER
SCHEMBL548708 0.80 MEN1 (0.73) MEN1KMT2APOLBGAAGFER
SCHEMBL11702433 0.79 CNR2 (0.51) MEN1KMT2APOLBGAAGFER
SCHEMBL8795602 0.79 MEN1 (0.47) MEN1KMT2APOLBGAAGFER
SCHEMBL26272370 0.79 MEN1 (0.36) MEN1KMT2APOLBGAAGFER
SCHEMBL27217482 0.79 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL548836 0.78 MEN1 (0.53) MEN1KMT2APOLBGAAGFER
SCHEMBL14627878 0.78 RARB (0.44) MEN1KMT2APOLBGAAGFER

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992094-B1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-31 US disclosed
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-19 US disclosed
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US disclosed
EP-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP disclosed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US disclosed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US disclosed
EP-0986537-B1 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-08-07 EP disclosed
EP-1086080-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2001-03-28 EP disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
WO-1999065872-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-12-23 WO disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
WO-1996020938-A1 ACETYLENES DISUBSTITUTED WITH 2-TETRAHYDROPYRANOXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
WO-1996020937-A1 ACETYLENES DISUBSTITUTED WITH HYDROXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5534641-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-07-09 US disclosed
US-5498795-A ANTITUMOR AGENTS, SKIN DISORDERS, ATHEROSCLEROSIS, PROSTATE CANCER AND AUTOIMMUNE DISEASES ALLERGAN, INC. (US) 1996-03-12 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 US disclosed
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 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 (2 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-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them TYR, CYP1B1, MITF MEN1 1151/4885KMT2A 4222/4885POLB 1813/4885
US-20060014803-A1 Diarylselenide compounds and their use in human or veterinary medicine and in cosmetics TYR, DERL1, GPX1 MEN1 1322/4885KMT2A 2169/4885POLB 3080/4885

“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.