SCHEMBL995437

SCHEMBL995437

CC1(C)CC(O)Sc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
CYP26A1 O43174 2/20 0.68
RARB P10826 9/20 0.53
RARG P13631 9/20 0.53
RARA P10276 7/20 0.53
KMT2A Q03164 1/20 0.53
CRABP2 P29373 1/20 0.44
GRM5 P41594 7/20 0.39
BACE1 P56817 1/20 0.37

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
SCHEMBL2682229 0.87 RARA (0.73) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL997727 0.83 CYP3A4 (0.60) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL995023 0.83 CYP3A4 (0.60) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL995512 0.83 CYP3A4 (0.60) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL2682838 0.82 CYP3A4 (0.58) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8892530 0.81 CYP3A4 (0.71) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29433140 0.81 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL678713 0.81 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29466098 0.81 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL995907 0.80 CYP3A4 (0.70) CYP3A4CYP26A1RARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20140357672-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 CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885
US-20140357669-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885
US-20120115909-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885

“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.