SCHEMBL995850

SCHEMBL995850

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.74
RARG P13631 6/20 0.74
RARA P10276 5/20 0.74
CYP3A4 P08684 3/20 0.74
KMT2A Q03164 2/20 0.74
CYP26A1 O43174 2/20 0.55
PABPC1 P11940 2/20 0.35
APOBEC3A P31941 2/20 0.35
EIF4H Q15056 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
MEN1 O00255 1/20 0.34
GRM5 P41594 4/20 0.34
CRABP2 P29373 1/20 0.34
MAPK1 P28482 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
PDE4B Q07343 1/20 0.34
BACE1 P56817 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL995907 0.86 CYP3A4 (0.70) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL3134 0.85 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL5747908 0.85 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL29512592 0.85 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL29397163 0.85 RARA (1.00) RARBRARGRARACYP3A4KMT2A
SCHEMBL8630933 0.84 RARA (0.75) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL6101987 0.84 RARA (0.98) RARBRARGRARACYP3A4KMT2A
SCHEMBL8865753 0.83 RARA (0.74) RARBRARGRARACYP3A4KMT2A
SCHEMBL994761 0.83 RARA (0.74) RARBRARGRARACYP3A4KMT2A
SCHEMBL2682229 0.83 RARA (0.73) RARBRARGRARACYP3A4KMT2A

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 15 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
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-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-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
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 RARB 5/4885RARG 6/4885RARA 2/4885
US-20140357669-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB RARB 5/4885RARG 6/4885RARA 2/4885
US-20120115909-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB RARB 5/4885RARG 6/4885RARA 2/4885

“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.