SCHEMBL20972773

SCHEMBL20972773

CC(C)CC(=O)CC(/C=C/c1ccccc1)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
EGFR P00533 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
BTN3A1 O00481 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
SCHEMBL20972774 1.00 CYP1A2 (0.35) CYP1A2ALDH1A1CYP2C19TDP1AAK1
SCHEMBL20972779 0.86 ALDH1A1 (0.42) ALDH1A1PPARGLMNA
SCHEMBL20972778 0.86 ALDH1A1 (0.42) ALDH1A1PPARGLMNA
SCHEMBL20972780 0.84 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2C19TDP1EGFR
SCHEMBL20972782 0.84 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2C19TDP1EGFR
SCHEMBL22401206 0.82 TDP1 (0.44) ALDH1A1TDP1EGFR
SCHEMBL22401207 0.82 TDP1 (0.44) ALDH1A1TDP1EGFR
SCHEMBL22401208 0.78 TDP1 (0.42) CYP1A2ALDH1A1TDP1EGFR
SCHEMBL28437449 0.78 TDP1 (0.42) CYP1A2ALDH1A1TDP1EGFR
SCHEMBL22927463 0.76 CYP1A2 (0.42) CYP1A2ALDH1A1TDP1CNR2LMNA

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
US-12275696-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2025-04-15 US disclosed
CN-111511357-B Process for preparing tazicar 德玛万科学有限责任公司 2024-04-09 CN disclosed
US-20230174445-A1 PROCESS FOR PREPARING TAPINAROF Dermavant Sciences GmbH (CH) 2023-06-08 US disclosed
US-20230174445-A1 PROCESS FOR PREPARING TAPINAROF Dermavant Sciences GmbH (CH) 2023-06-08 US disclosed
US-20230174445-A1 PROCESS FOR PREPARING TAPINAROF Dermavant Sciences GmbH (CH) 2023-06-08 US disclosed
US-11597692-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2023-03-07 US disclosed
US-20210163388-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2021-06-03 US disclosed
US-20210163388-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2021-06-03 US disclosed
US-10961175-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2021-03-30 US disclosed
US-10961175-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2021-03-30 US disclosed
US-20210024442-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2021-01-28 US disclosed
US-20210024442-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2021-01-28 US disclosed
US-10647649-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2020-05-12 US disclosed
US-10647649-B2 Process for preparing tapinarof Dermavant Sciences GmbH (CH) 2020-05-12 US disclosed
US-20190144367-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2019-05-16 US disclosed
US-20190144367-A1 PROCESS FOR PREPARING TAPINAROF DERMAVENT SCIENCES GMBH (CH) 2019-05-16 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 (8 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-20210024442-A1 PROCESS FOR PREPARING TAPINAROF TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-20210163388-A1 PROCESS FOR PREPARING TAPINAROF TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-20230174445-A1 PROCESS FOR PREPARING TAPINAROF TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-10961175-B2 Process for preparing tapinarof TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-10647649-B2 Process for preparing tapinarof TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-12275696-B2 Process for preparing tapinarof TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-20190144367-A1 PROCESS FOR PREPARING TAPINAROF TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885
US-11597692-B2 Process for preparing tapinarof TALDO1, TTR, CYP8B1 CYP1A2 134/4885ALDH1A1 352/4885CYP2C19 195/4885

“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.