SCHEMBL7046145

SCHEMBL7046145

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CNR2 P34972 7/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
BRS3 P32247 1/20 0.40
MMP8 P22894 1/20 0.38
OPRK1 P41145 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
LMNA P02545 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
SCHEMBL11426539 0.87 RORC (0.51) RORCCNR2CYP4F2CYP4A11BRS3
SCHEMBL14393384 0.87 RORC (0.51) RORCCNR2CYP4F2CYP4A11BRS3
SCHEMBL1125293 0.87 RORC (0.51) RORCCNR2CYP4F2CYP4A11MMP8
SCHEMBL992232 0.86 CYP4F2 (0.57) RORCCNR2CYP4F2CYP4A11BRS3
SCHEMBL27796483 0.84 BRS3 (0.53) RORCKMT2AMEN1CNR2CYP4F2
SCHEMBL8434856 0.83 RORC (0.53) RORCCNR2MMP8OPRK1ABCB11
Hydrochloric Acid SCHEMBL11110222 0.83 RORC (0.48) RORCKMT2ACNR2CYP4F2CYP4A11
SCHEMBL6580520 0.82 PPARA (0.46) RORCCNR2CYP4F2CYP4A11MMP8
SCHEMBL20621008 0.82 RORC (0.52) RORCCNR2CYP4F2CYP4A11MMP8
SCHEMBL8880235 0.81 MMP8 (0.44) KMT2AMEN1CNR2CYP4F2CYP4A11

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
CN-117024272-A Process for producing 2-methyl-2-phenylpropionic acid derivative 住友化学株式会社 2023-11-10 CN disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
EP-4177248-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Hefei Institute of Pharmaceutical Industry Co., Ltd. (CN) 2023-05-10 EP disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HEFEI AMVITE PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
CN-115427405-A Tricyclic compound, preparation method and medical application thereof 合肥医工医药股份有限公司 2022-12-02 CN disclosed
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
WO-2022001331-A1 A CLASS OF TRICYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 合肥医工医药股份有限公司 2022-01-06 WO disclosed
CN-106349214-A Method for preparing bilastine impurity 南京长澳医药科技有限公司 2017-01-25 CN disclosed
EP-0956286-B1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR INC (US) 2003-04-02 EP disclosed
US-6147217-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 2000-11-14 US disclosed
EP-0956286-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1999-11-17 EP disclosed
US-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 US disclosed
WO-1998033789-A1 SYNTHESIS OF TERFENADINE AND DERIVATIVES SEPRACOR, INC. (US) 1998-08-06 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 (1 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-20230140276-A1 TRICYCLIC COMPOUNDS, PREPARATION METHOD AND MEDICAL USE THEREOF HNMT, CHRM1, HRH4 RORC 691/4885KMT2A 359/4885MEN1 358/4885

“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.