SCHEMBL4370337

SCHEMBL4370337

C#CSc1ccc2c(c1)C(C)(C)CCO2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
RARG P13631 5/20 0.43
RARA P10276 4/20 0.43
RXRA P19793 3/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
AKR1B1 P15121 1/20 0.34
HNF4A P41235 1/20 0.34
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MAP3K14 Q99558 1/20 0.32
SSTR5 P35346 2/20 0.32

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
SCHEMBL9006914 0.88 RARB (0.35) RARBRARGRARARXRACYP26A1
SCHEMBL4373360 0.81 RARB (0.45) RARBRARGRARARXRACYP26A1
SCHEMBL8081759 0.81 RARB (0.45) RARBRARGRARARXRACYP26A1
SCHEMBL9188117 0.81 RARB (0.48) RARBRARGRARARXRACYP26A1
SCHEMBL6668910 0.78 RARA (0.45) RARBRARGRARARXRACYP26A1
SCHEMBL7560489 0.77 RXRA (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL3456678 0.77 RARB (0.51) RARBRARGRARARXRACYP26A1
SCHEMBL9190581 0.77 RARB (0.53) RARBRARGRARARXRACYP26A1
SCHEMBL10557225 0.77 RARB (0.44) RARBRARGRARARXRACYP26A1
SCHEMBL8562770 0.76 AKR1B1 (0.34) AKR1B1SSTR5

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 58 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-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 claimed
WO-2006059345-A2 PROCESS FOR THE PREPARATION OF ACETYLENIC RETINOID SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-06-08 WO claimed
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups GLENMARK PHARMACEUTICALS LIMITED (IN) 2006-05-18 US claimed
WO-2005123713-A1 PROCESS FOR THE PREPARATION OF DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-12-29 WO claimed
US-6963002-B2 Process for the preparation of 4,4-dimethyl-6-ethynylthiochroman GLENMARK PHARMACEUTICALS LIMITED (US) 2005-11-08 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-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADMENY OF SCIENCES (CN) 2020-02-11 US disclosed
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 US disclosed
EP-3428155-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-01-16 EP 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-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 US disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 RARB 2078/4885RARG 2738/4885RARA 1989/4885
US-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885
US-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS PPIA, CUTA, TFPI RARB 130/4885RARG 294/4885RARA 77/4885
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
US-10556879-B2 Retinoid compound, preparation method therefor, intermediates thereof and application thereof RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885
US-20060106233-A1 Process for the preparation of disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups CBR3, NR1H2, NR3C2 RARB 2140/4885RARG 2656/4885RARA 2569/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“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.