SCHEMBL4421853

SCHEMBL4421853

CSC1(SC)CCOc2ccc(C(C)=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
RARA P10276 5/20 0.45
RARB P10826 5/20 0.45
RARG P13631 5/20 0.45
RXRA P19793 1/20 0.42
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
AKR1B1 P15121 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL8101913 0.89 RARB (0.53) RARARARBRARGRXRACYP26A1
SCHEMBL27557340 0.87 RARB (0.45) KDM4ERARARARBRARGRXRA
SCHEMBL8907172 0.84 ATM (0.43) KDM4ERARARARBRARGRXRA
SCHEMBL8109801 0.83 CYP26A1 (0.46) KDM4ERARARARBRARGRXRA
SCHEMBL21750652 0.82 CYP1A2 (0.57) KDM4ECYP26A1CYP26B1NPC1MAPT
SCHEMBL30353262 0.81 KDM4E (0.54) KDM4ERARARARBRARGRXRA
SCHEMBL2240683 0.81 RARB (0.64) KDM4ERARARARBRARGRXRA
SCHEMBL7141574 0.81 RARB (0.74) KDM4ERARARARBRARGRXRA
SCHEMBL30134236 0.79 KDM4E (0.53) KDM4ERARARARBRARGRXRA
SCHEMBL4945442 0.79 RARA (0.38) KDM4ERARARARBRARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7414143-B2 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-08-19 US disclosed
US-20070238881-A1 Process for the preparation of tazarotene intermediates and use thereof for the preparation of tazarotene GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-10-11 US disclosed
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-05-18 US disclosed
WO-2005123713-A1 PROCESS FOR THE PREPARATION OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-12-29 WO disclosed
US-6963002-B2 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (US) 2005-11-08 US disclosed
US-20050240029-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-10-27 US disclosed
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 US disclosed
WO-2005003125-A1 PROCESS FOR THE PREPARATION OF 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN GLENMARK PHARMACEUTICALS LIMITED (US) 2005-01-13 WO disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO disclosed
EP-0907646-A1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP disclosed
WO-1997046548-A1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-12-11 WO disclosed
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed
US-4977276-A ANTITUMOR AGENTS, SKIN DISORDERS THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIV. (US) 1990-12-11 US disclosed
US-4833254-A CHROMANYL, THIOCHROMANYL DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-23 US disclosed
US-4826984-A Heteroarotinoid compounds as anticancer agents THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL AND MECHANICAL COLLEGE ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY (US) 1989-05-02 US 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 (5 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-20070238881-A1 Process for the preparation of tazarotene intermediates and use thereof for the preparation of tazarotene NAMPT, NAPRT, NNT KDM4E 116/4885RARA 1989/4885RARB 2078/4885
US-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB KDM4E 4717/4885RARA 1/4885RARB 3/4885
US-20050240029-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman YAP1, SDHA, SDHB KDM4E 30/4885RARA 1195/4885RARB 1175/4885
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups CBR3, NR1H2, NR3C2 KDM4E 2965/4885RARA 2569/4885RARB 2140/4885
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB KDM4E 3446/4885RARA 4/4885RARB 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.