SCHEMBL6686321

SCHEMBL6686321

BrCCCC(Br)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 4/20 0.39
SLC6A2 P23975 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
CPA1 P15085 1/20 0.37
FOLH1 Q04609 1/20 0.37
SLC18A2 Q05940 1/20 0.36
ANPEP P15144 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
Hydrogen Sulfide SCHEMBL4534339 0.98 TDP1 (0.41) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL6689791 0.94 TDP1 (0.41) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL6685311 0.92 TDP1 (0.40) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL6686634 0.92 TDP1 (0.40) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL6682088 0.87 TDP1 (0.46) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL8746092 0.82 CSNK1E (0.47) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL2876022 0.81 TDP1 (0.30) TDP1
SCHEMBL2581115 0.80 EPHX1 (0.39) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL7252952 0.79 EPHX1 (0.55) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL11444001 0.79 SIGMAR1 (0.44) EPHX1TRPA1TAAR1SLC6A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
EP-2915803-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-07-22 EP disclosed
US-10301417-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-05-28 US disclosed
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
EP-3372579-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2018-09-12 EP disclosed
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-10-19 US disclosed
EP-2915803-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-09-09 EP disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 US 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-10301417-B2 Polyisocyanate composition and isocyanate polymer composition PAH, ALKBH1, ALKBH3 TDP1 621/4885EPHX1 3750/4885TRPA1 1639/4885
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B TDP1 3008/4885EPHX1 3187/4885TRPA1 899/4885
US-20170298169-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY TDP1 4009/4885EPHX1 2392/4885TRPA1 189/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B TDP1 2789/4885EPHX1 3204/4885TRPA1 953/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY TDP1 4009/4885EPHX1 2392/4885TRPA1 189/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY TDP1 4009/4885EPHX1 2392/4885TRPA1 189/4885

“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.