SCHEMBL4945442

SCHEMBL4945442

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.38
RARB P10826 6/20 0.38
RARG P13631 6/20 0.38
RXRA P19793 2/20 0.38
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
AKR1B1 P15121 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30

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 0.79 RARB (0.53) RARARARBRARGRXRACYP26A1
SCHEMBL4421853 0.79 KDM4E (0.50) RARARARBRARGRXRACYP26A1
SCHEMBL8907172 0.75 ATM (0.43) RARARARBRARGRXRACYP26A1
SCHEMBL27557340 0.75 RARB (0.45) RARARARBRARGRXRACYP26A1
SCHEMBL9053853 0.75 ALDH1A1 (0.42) RARARARBRARGAKR1B1
SCHEMBL8109801 0.74 CYP26A1 (0.46) RARARARBRARGRXRACYP26A1
SCHEMBL9054289 0.73 MAPT (0.41) AKR1B1KDM4E
SCHEMBL6017429 0.73 CHRM2 (0.35) RARARARBRARGCYP26A1CYP26B1
SCHEMBL7141574 0.72 RARB (0.74) RARARARBRARGRXRACYP26A1
Hydrochloric Acid SCHEMBL21750681 0.72 MAPT (0.44) AKR1B1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050004373-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK GENERICS LTD. (IN) 2005-01-06 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 (4 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 RARA 1989/4885RARB 2078/4885RARG 2738/4885
US-20050240029-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman YAP1, SDHA, SDHB RARA 1195/4885RARB 1175/4885RARG 1361/4885
US-20050004373-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman YAP1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SDHA RARA 1124/4885RARB 1135/4885RARG 1336/4885
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups CBR3, NR1H2, NR3C2 RARA 2569/4885RARB 2140/4885RARG 2656/4885

“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.