SCHEMBL995126

SCHEMBL995126

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(OC(=O)CO)S3)nc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.66
RARB P10826 5/20 0.66
RARG P13631 4/20 0.66
CYP3A4 P08684 3/20 0.66
KMT2A Q03164 1/20 0.66
CYP26A1 O43174 2/20 0.50
BACE1 P56817 7/20 0.34
BACE2 Q9Y5Z0 6/20 0.32
GRM5 P41594 4/20 0.31
CRABP2 P29373 1/20 0.31

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
SCHEMBL6369431 0.94 RARA (0.67) RARARARBRARGCYP3A4KMT2A
SCHEMBL996174 0.93 RARA (0.65) RARARARBRARGCYP3A4KMT2A
SCHEMBL6368666 0.92 RARA (0.64) RARARARBRARGCYP3A4KMT2A
SCHEMBL2682763 0.92 RARA (0.68) RARARARBRARGCYP3A4KMT2A
SCHEMBL2683146 0.90 RARA (0.66) RARARARBRARGCYP3A4KMT2A
SCHEMBL16272969 0.90 RARA (0.70) RARARARBRARGCYP3A4KMT2A
SCHEMBL6369553 0.90 RARB (0.62) RARARARBRARGCYP3A4KMT2A
SCHEMBL6368948 0.90 RARB (0.62) RARARARBRARGCYP3A4KMT2A
SCHEMBL6368925 0.90 CYP3A4 (0.62) RARARARBRARGCYP3A4KMT2A
SCHEMBL6369204 0.89 CYP3A4 (0.65) RARARARBRARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453746-A1 TAZAROTENE DERIVATIVES Stiefel Laboratories, Inc. (US) 2012-05-23 EP claimed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US claimed
WO-2011009023-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. (US) 2011-01-20 WO claimed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
EP-2453746-A1 TAZAROTENE DERIVATIVES Stiefel Laboratories, Inc. (US) 2012-05-23 EP disclosed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US disclosed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US disclosed
WO-2011009023-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. (US) 2011-01-20 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-20140357672-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB RARA 2/4885RARB 5/4885RARG 6/4885
US-20140357669-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB RARA 2/4885RARB 5/4885RARG 6/4885
US-20120115909-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB RARA 2/4885RARB 5/4885RARG 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.