SCHEMBL444860

SCHEMBL444860

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.78
RARA P10276 16/20 0.78
RARG P13631 15/20 0.78
CYP3A4 P08684 3/20 0.78
KMT2A Q03164 1/20 0.78
CYP26A1 O43174 2/20 0.60
CRABP2 P29373 1/20 0.48
RXRA P19793 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL9007003 0.91 RARB (0.66) RARBRARARARGCYP3A4KMT2A
SCHEMBL9817871 0.90 RARA (0.71) RARBRARARARGCYP3A4KMT2A
SCHEMBL7651593 0.89 RARA (0.63) RARBRARARARGCYP3A4KMT2A
SCHEMBL19342992 0.89 RARA (0.69) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL29512592 0.88 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL5747908 0.88 RARA (1.00) RARBRARARARGCYP3A4KMT2A
SCHEMBL19342993 0.88 RARA (0.68) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL3134 0.88 RARA (1.00) RARBRARARARGCYP3A4KMT2A
SCHEMBL19342924 0.88 RARB (0.68) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL29397163 0.88 RARA (1.00) RARBRARARARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP claimed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US claimed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP claimed
US-8278332-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-10-02 US disclosed
US-8268294-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-18 US disclosed
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2012-03-15 US disclosed
US-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds HALLSTAR INNOVATIONS CORP. (US) 2011-06-16 US disclosed
US-20090324570-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds HALLSTAR INNOVATIONS CORP. (US) 2009-12-31 US disclosed
US-5717094-A 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS ALLERGAN (US) 1998-02-10 US disclosed
EP-0419132-B1 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN INC (US) 1995-09-06 EP disclosed
US-5248777-A Inhibitors of ornithine decarboxylase ALLERGAN, INC. (US) 1993-09-28 US disclosed
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP 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

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-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds RBP4, RARA, RBP1 RARB 4/4885RARA 2/4885RARG 6/4885
US-20090324570-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds RBP4, RARA, RBP1 RARB 4/4885RARA 2/4885RARG 6/4885
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS RBP4, RARA, RBP1 RARB 4/4885RARA 2/4885RARG 6/4885

“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.