SCHEMBL992232

SCHEMBL992232

CCOC(=O)C(C)(C)c1ccc(CCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.57
CYP4A11 Q02928 5/20 0.57
RORC P51449 1/20 0.50
PPARA Q07869 2/20 0.46
CNR2 P34972 7/20 0.44
BRS3 P32247 1/20 0.40
MMP8 P22894 1/20 0.39
OPRK1 P41145 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11426539 0.89 RORC (0.51) CYP4F2CYP4A11RORCPPARACNR2
SCHEMBL14393384 0.89 RORC (0.51) CYP4F2CYP4A11RORCPPARACNR2
SCHEMBL20621008 0.87 RORC (0.52) CYP4F2CYP4A11RORCPPARACNR2
SCHEMBL7046145 0.86 RORC (0.49) CYP4F2CYP4A11RORCPPARACNR2
SCHEMBL28418960 0.85 PPARA (0.46) CYP4F2CYP4A11RORCPPARABRS3
SCHEMBL8434856 0.85 RORC (0.53) RORCPPARACNR2MMP8OPRK1
Hydrochloric Acid SCHEMBL11110222 0.84 RORC (0.48) CYP4F2CYP4A11RORCCNR2BRS3
SCHEMBL3656294 0.83 CYP4A11 (0.54) CYP4F2CYP4A11PPARACNR2BRS3
SCHEMBL18610490 0.83 CYP4F2 (0.55) CYP4F2CYP4A11PPARATSHRLMNA
SCHEMBL1125293 0.82 RORC (0.51) CYP4F2CYP4A11RORCPPARACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979960-B Preparation method of bilastine intermediate 南京桦冠生物技术有限公司 2022-03-18 CN disclosed
CN-113979960-A Preparation method of bilastine intermediate 南京桦冠生物技术有限公司 2022-01-28 CN disclosed
CN-107365297-B Preparation method and intermediate of 2-methyl-2' -phenylpropionic acid derivative 罗欣药业(上海)有限公司 2020-07-03 CN disclosed
CN-102675101-B Preparation method of 2-(4-haloethyl) phenyl-2-methyl propionic ester and synthesis method of bilastine WANG LEI 2014-01-29 CN disclosed
US-8633223-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2014-01-21 US disclosed
US-8487106-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-07-16 US disclosed
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-8367704-B2 Process for preparation of 2-methyl-2′ phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-02-05 US disclosed
US-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KP) 2011-01-13 US disclosed
EP-2240464-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS Yuhan Corporation (KR) 2010-10-20 EP disclosed
WO-2009102155-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2009-08-20 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-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH4, HCAR2, HRH1 CYP4F2 327/4885CYP4A11 20/4885RORC 3069/4885
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH2, HRH4, HNMT CYP4F2 750/4885CYP4A11 232/4885RORC 3248/4885
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH1, HRH2, HRH4 CYP4F2 280/4885CYP4A11 24/4885RORC 2955/4885

“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.