SCHEMBL2168487

SCHEMBL2168487

Cc1ccc(O)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
NCEH1 Q6PIU2 1/20 0.41
CSNK2A1 P68400 1/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL30972746 1.00 TRPA1 (0.44) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL25077559 0.83 ESR2 (0.44) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL4930118 0.81 TP53 (0.40) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL5951211 0.79 TRPA1 (0.44) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL6062069 0.79 ALDH1A1 (0.41) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL31065736 0.79 TRPA1 (0.44) TRPA1ATMKDM4EALDH1A1GAA
SCHEMBL10753626 0.77 NCEH1 (0.42) TRPA1ATMALDH1A1NCEH1POLB
SCHEMBL16334112 0.75 TP53 (0.36) TRPA1KDM4EALDH1A1GAAHTT
SCHEMBL15476296 0.75 CYP3A4 (0.42) TRPA1KDM4EALDH1A1GAAHTT
SCHEMBL7524173 0.75 KDM4E (0.39) TRPA1ATMKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135297-A1 AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION ISP INVESTMENTS INC. (US) 2014-05-15 US claimed
CN-1953658-A Antimicrobial silicon oxide flakes CIBA SC HOLDING AG (CH) 2007-04-25 CN claimed
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
CN-120202209-A Modified cholic acid conjugate 乌尔特拉有限责任公司 2025-06-24 CN disclosed
CN-119562805-A Cannabinoid lipid premix 费尔廷制药公司 2025-03-04 CN disclosed
EP-3653303-B1 PIPETTE TIP RACK BIOTIX INC (US) 2025-02-26 EP disclosed
US-12201987-B2 Pipette tip rack BIOTIX, INC. (US) 2025-01-21 US disclosed
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. 2024-08-22 US disclosed
CN-112153964-B Oral tablets suitable for active pharmaceutical ingredient comprising non-directly compressible sugar alcohol particles 费尔廷制药公司 2024-07-30 CN disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
US-20110183433-A1 PIPETTE TIPS BIOTIX, INC. (US) 2011-07-28 US disclosed
WO-2011091308-A2 PIPETTE TIPS BIOTIX, INC. (US) 2011-07-28 WO disclosed
CN-101802316-A Improvements in lavatory treatment devices RECKITT BENCKISER INC 2010-08-11 CN disclosed
WO-2010008737-A2 ANTIMICROBIAL FLUID HANDLING DEVICES AND METHODS OF MANUFACTURE PELICAN GROUP HOLDINGS, INC. (US) 2010-01-21 WO disclosed
US-7638470-B2 Cleaning RECKITT BENCKISER (UK) LIMITED (GB) 2009-12-29 US disclosed
EP-1879457-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES Ciba Specialty Chemicals Holding, Inc. (CH) 2008-01-23 EP disclosed
CN-1953658-A Antimicrobial silicon oxide flakes CIBA SC HOLDING AG (CH) 2007-04-25 CN disclosed
WO-2006120135-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-16 WO disclosed
CN-1331739-A Fabric color care method PROCTER & GAMBLE (US) 2002-01-16 CN 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-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF ITGB7, ITGB4, ITGA4 TRPA1 2715/4885ATM 4276/4885KDM4E 3588/4885

“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.