SCHEMBL5485071

SCHEMBL5485071

CC1(C)CCSc2ccc(C#Cc3ccc(C#N)cn3)cc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.70
CYP26A1 O43174 1/20 0.70
RARA P10276 2/20 0.64
RARB P10826 2/20 0.64
RARG P13631 2/20 0.64
KMT2A Q03164 1/20 0.64
BACE1 P56817 13/20 0.42
BACE2 Q9Y5Z0 12/20 0.42

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
SCHEMBL20655868 0.92 CYP3A4 (0.65) CYP3A4CYP26A1RARARARBRARG
SCHEMBL17885757 0.87 CYP3A4 (0.71) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6665694 0.86 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL19342896 0.86 CYP3A4 (0.57) CYP3A4CYP26A1RARARARBRARG
SCHEMBL180442 0.84 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL860637 0.83 CYP3A4 (0.69) CYP3A4CYP26A1RARARARBRARG
SCHEMBL30374281 0.83 CYP3A4 (0.69) CYP3A4CYP26A1RARARARBRARG
SCHEMBL19342919 0.83 CYP3A4 (0.49) CYP3A4CYP26A1RARARARBRARG
SCHEMBL14330777 0.82 CYP3A4 (0.84) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8765958 0.82 CYP3A4 (0.68) CYP3A4CYP26A1RARARARBRARG

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-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
WO-2015107542-A2 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2015-07-23 WO 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-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

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

For each of this compound's patents that has machine-readable text (2 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 CYP3A4 125/4885CYP26A1 289/4885RARA 1989/4885
US-20160304503-A1 TAZAROTENE WITH LOW DIMER IMPURITY FOR TREATING ACNE OR PSORIASIS PPIA, CUTA, TFPI CYP3A4 563/4885CYP26A1 926/4885RARA 77/4885

“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.