SCHEMBL2089353

SCHEMBL2089353

CC#Cc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL27802620 0.98 ALDH1A1 (0.39) ALDH1A1FFAR1CYP1A1CYP1A2CYP1B1
SCHEMBL2466535 0.84 FFAR1 (0.47) ALDH1A1FFAR1CYP1A2MAPK1TSHR
SCHEMBL30468202 0.84 FFAR1 (0.47) ALDH1A1FFAR1CYP1A2MAPK1TSHR
SCHEMBL6364807 0.81 CYP1A2 (0.46) ALDH1A1CYP1A1CYP1A2CYP1B1TSHR
SCHEMBL20912027 0.79 ALDH1A1 (0.36) ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL28016124 0.79 FFAR1 (0.41) ALDH1A1FFAR1CYP1A2MAPK1TAAR1
SCHEMBL2173149 0.79 FFAR1 (0.41) ALDH1A1FFAR1CYP1A2MAPK1TAAR1
SCHEMBL9948640 0.78 KCNH2 (0.32) ALDH1A1
SCHEMBL28401249 0.77 FFAR1 (0.40) ALDH1A1FFAR1MAPK1TAAR1CA1
SCHEMBL20089254 0.76 FFAR1 (0.41) ALDH1A1FFAR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2023-11-23 US disclosed
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2023-11-23 US disclosed
CN-110590722-B Synthesis method of 2-trifluoromethyl benzofuran derivative 温州大学 2022-11-04 CN disclosed
CN-108463462-B Benzodiazepines as bromodomain inhibitors 催化剂治疗私人有限公司 2021-06-22 CN disclosed
CN-110590722-A Synthesis method of 2-trifluoromethyl benzofuran derivative 温州大学 2019-12-20 CN disclosed
US-10167292-B2 Benzodiazepines as bromodomain inhibitors Catalyst Therapeutics Pty Ltd. (AU) 2019-01-01 US disclosed
US-10167292-B2 Benzodiazepines as bromodomain inhibitors Catalyst Therapeutics Pty Ltd. (AU) 2019-01-01 US disclosed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3331887-A1 BENZODIAZEPINES AS BROMODOMAIN INHIBITORS Catalyst Therapeutics Pty Ltd. (AU) 2018-06-13 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20110064892-A1 Polycyclic Organic Compounds, Retardation Layer and Compensation Panel on Their Base CRYSOPTIX KK 2011-03-17 US disclosed
EP-2260036-A2 POLYCYCLIC ORGANIC COMPOUNDS, RETARDATION LAYER AND COMPENSATION PANEL ON THEIR BASE CRYSOPTIX K.K. (JP) 2010-12-15 EP disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2009109782-A2 POLYCYCLIC ORGANIC COMPOUNDS, RETARDATION LAYER AND COMPENSATION PANEL ON THEIR BASE CRYSOPTIX K.K. (JP) 2009-09-11 WO disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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 (6 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-20110064892-A1 Polycyclic Organic Compounds, Retardation Layer and Compensation Panel on Their Base MCM3, CCNA2, CCNB2 ALDH1A1 4124/4885FFAR1 4846/4885CYP1A1 1757/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885FFAR1 4028/4885CYP1A1 3730/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885FFAR1 4028/4885CYP1A1 3730/4885
US-10167292-B2 Benzodiazepines as bromodomain inhibitors BRD1, BRD3, BRD2 ALDH1A1 496/4885FFAR1 629/4885CYP1A1 112/4885
US-20230373900-A1 CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE DHPS, CYP11B2, PIN1 ALDH1A1 1231/4885FFAR1 4793/4885CYP1A1 94/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 ALDH1A1 2525/4885FFAR1 4511/4885CYP1A1 3897/4885

“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.