SCHEMBL338059

SCHEMBL338059

BrCc1ccc(CBr)c(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL9172047 0.85 TRPA1 (0.33) TRPA1ALDH1A1TSHR
SCHEMBL9172056 0.85 CYP4F2 (0.39) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL3373171 0.79 SNCA (0.36) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL3518446 0.77 TRPA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL17151870 0.77 TRPA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL11842351 0.77 CYP4F2 (0.36) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL6422600 0.77 TRPA1 (0.35) TRPA1ALDH1A1TSHR
SCHEMBL2118677 0.77 DHFR (0.42) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL6629667 0.77 TRPA1 (0.35) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL2009460 0.77 ALDH1A1 (0.35) TRPA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620500-A2 Resist and pattern formation using the same HITACHI, LTD. (JP) 1994-10-19 EP claimed
EP-4043091-A1 INTERFACIAL POLYMERIZATION METHOD FOR PREPARING MEMBRANES Universiteit Twente (NL) 2022-08-17 EP disclosed
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
EP-2114969-B1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA ALDRICH CO LLC (US) 2016-06-29 EP disclosed
EP-2114969-B1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA ALDRICH CO LLC (US) 2016-06-29 EP disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US disclosed
WO-2008095069-A2 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. (US) 2008-08-07 WO disclosed
WO-2008095069-A2 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. (US) 2008-08-07 WO disclosed
US-5593980-A ANTIARTHRITIC AGENTS FOR ADMINISTERING THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5500417-A ANTIARTHRITIC THE UPJOHN COMPANY (US) 1996-03-19 US disclosed
EP-0661978-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-07-12 EP disclosed
EP-0620500-A2 Resist and pattern formation using the same HITACHI, LTD. (JP) 1994-10-19 EP disclosed
WO-1994007501-A1 ARYLMETHYLPHOSPHONATES AND PHOSPHONIC ACIDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1994-04-14 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 (2 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-20080210858-A1 High Stability Polyionic Liquid Salts PUF60, POLI, PARG TRPA1 3485/4885ALDH1A1 4720/4885TSHR 4659/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG TRPA1 3485/4885ALDH1A1 4720/4885TSHR 4659/4885

“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.