SCHEMBL13452000

SCHEMBL13452000

COc1c(C(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13843683 0.83 POLB (0.38)
SCHEMBL2947022 0.82 PTGS2 (0.47) RARGRXRAPPARGTSHRCYP1A2
SCHEMBL12809228 0.81 ACHE (0.38) CYP3A4PTGS2
SCHEMBL24344597 0.81 CYP1A2 (0.38) RARGRXRAPPARGTSHRCYP1A2
SCHEMBL20749412 0.81 ALDH1A1 (0.41) TSHRCYP3A4CYP2C9CYP2C19PTGS2
SCHEMBL19590391 0.81 CYP1A2 (0.34) RARGRXRAPPARGTSHRCYP1A2
SCHEMBL13843665 0.80 POLB (0.39) ALDH1A1
SCHEMBL6340432 0.78 PTGS2 (0.35) RARGRXRAPPARGTSHRCYP1A2
SCHEMBL6342590 0.78 RARG (0.36) RARGRXRAPPARGTSHRCYP1A2
SCHEMBL15002989 0.77 TAAR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040272-A Method for producing m-ethyl anisole and p-ethyl anisole by using xylenol oil 煤炭科学技术研究院有限公司 2025-05-27 CN claimed
CN-120040272-A Method for producing m-ethyl anisole and p-ethyl anisole by using xylenol oil 煤炭科学技术研究院有限公司 2025-05-27 CN disclosed
EP-3230380-B1 POLYAMIDE COMPOSITIONS COMPRISING A POLYAMIDE 6,6 AND A BLEND OF HIGH CHAIN-LENGTH POLYAMIDES, USE THEREOF, AND ARTICLES OBTAINED THEREFROM PERFORMANCE POLYAMIDES S A S (FR) 2020-03-25 EP disclosed
EP-1786801-B1 2-ARYLCARBAMOYL-INDOLES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-10 EP disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed