SCHEMBL3456673

SCHEMBL3456673

CC(=O)c1ccc2c(c1)C(C)(C)CCS2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.64
RARG P13631 13/20 0.64
RARA P10276 12/20 0.64
RXRA P19793 7/20 0.61
CYP3A4 P08684 2/20 0.52
CYP26A1 O43174 1/20 0.52
KMT2A Q03164 2/20 0.47
SSTR5 P35346 1/20 0.43
RXRB P28702 3/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXRG P48443 2/20 0.41
MEN1 O00255 1/20 0.40
CYBB P04839 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
NOX3 Q9HBY0 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
SCHEMBL9144369 0.91 RARB (0.55) RARBRARGRARARXRACYP3A4
SCHEMBL8101908 0.88 RARB (0.72) RARBRARGRARARXRACYP3A4
SCHEMBL10284325 0.86 RARB (0.60) RARBRARGRARARXRACYP3A4
SCHEMBL27557342 0.84 RARB (0.61) RARBRARGRARARXRACYP3A4
SCHEMBL10565430 0.82 RARB (0.70) RARBRARGRARARXRACYP3A4
SCHEMBL8907166 0.82 RARB (0.56) RARBRARGRARARXRACYP3A4
SCHEMBL7138376 0.81 RARB (0.55) RARBRARGRARARXRACYP3A4
SCHEMBL8109800 0.81 RARB (0.58) RARBRARGRARARXRACYP3A4
SCHEMBL21750650 0.81 RARA (0.51) RARBRARGRARARXRACYP3A4
SCHEMBL7567287 0.80 RARB (0.69) RARBRARGRARARXRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009116075-A2 PROCESS FOR PREPARATION OF TAZAROTENE INDOCO REMEDIES LIMITED (IN) 2009-09-24 WO claimed
US-7414143-B2 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-08-19 US claimed
WO-2006059345-A2 PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-06-08 WO claimed
US-6963002-B2 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (US) 2005-11-08 US claimed
US-20050240029-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-10-27 US claimed
WO-2005003125-A1 PROCESS FOR THE PREPARATION OF 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN GLENMARK PHARMACEUTICALS LIMITED (US) 2005-01-13 WO claimed
US-20050004373-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK GENERICS LTD. (IN) 2005-01-06 US claimed
US-9688667-B2 Tazarotene with low dimer impurity for treating acne or psoriasis SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-27 US disclosed
US-9688667-B2 Tazarotene with low dimer impurity for treating acne or psoriasis SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-27 US disclosed
US-9688667-B2 Tazarotene with low dimer impurity for treating acne or psoriasis SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-27 US disclosed
US-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-10-20 US disclosed
US-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-10-20 US disclosed
US-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-10-20 US disclosed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US disclosed
US-4788213-A TREATING ACNE AND PSORIASIS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP disclosed
EP-0284288-A1 Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed
US-4678793-A ACNE, PSORIASIS, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1987-07-07 US disclosed
EP-0155940-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-10-02 EP disclosed
WO-1985000806-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-02-28 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 (3 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-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS PPIA, CUTA, TFPI RARB 130/4885RARG 294/4885RARA 77/4885
US-20050240029-A1 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman YAP1, SDHA, SDHB RARB 1175/4885RARG 1361/4885RARA 1195/4885
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 RARB 1135/4885RARG 1336/4885RARA 1124/4885

“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.