SCHEMBL6561452

SCHEMBL6561452

Clc1ccc2cccc(Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.58
CYP1A2 P05177 2/20 0.58
NR4A2 P43354 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
ADRA2A P08913 1/20 0.41
CHEK1 O14757 1/20 0.40
FADS1 O60427 1/20 0.40
TP53 P04637 1/20 0.40
AHR P35869 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30366567 1.00 CYP2A6 (0.58) CYP2A6CYP1A2NR4A2TRPV1ADRA2A
Propane SCHEMBL28860823 0.92 CYP2A6 (0.50) CYP2A6CYP1A2NR4A2TRPV1ADRA2A
SCHEMBL145859 0.83 CYP2A6 (0.68) CYP2A6CYP1A2FADS1TSHRTDP1
SCHEMBL8208536 0.83 CYP2A6 (0.68) CYP2A6CYP1A2FADS1TSHRTDP1
SCHEMBL30366566 0.81 CYP1A2 (0.58) CYP2A6CYP1A2NR4A2FADS1TP53
SCHEMBL30366437 0.81 CYP1A2 (0.58) CYP2A6CYP1A2NR4A2FADS1TP53
SCHEMBL1780245 0.81 CYP1A2 (0.58) CYP2A6CYP1A2NR4A2FADS1TP53
SCHEMBL29972350 0.79 CYP2A6 (0.62) CYP2A6CYP1A2NR4A2ADRA2ACHEK1
SCHEMBL5668937 0.79 CYP2A6 (0.62) CYP2A6CYP1A2NR4A2ADRA2ACHEK1
SCHEMBL5411000 0.79 CYP2A6 (0.52) CYP2A6NR4A2CHEK1TP53AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112259714-B Solid-state battery composite electrode plate, preparation method thereof and solid-state battery comprising solid-state battery composite electrode plate 东莞东阳光科研发有限公司 2022-12-27 CN claimed
CN-110767464-B Super capacitor containing MOFs material and preparation method thereof 东莞东阳光科研发有限公司 2022-07-08 CN claimed
CN-115991815-A Halogenated modified prepared photoresist resin material and preparation method thereof 中国科学院长春应用化学研究所 2023-04-21 CN disclosed
CN-112259714-B Solid-state battery composite electrode plate, preparation method thereof and solid-state battery comprising solid-state battery composite electrode plate 东莞东阳光科研发有限公司 2022-12-27 CN disclosed
CN-110767464-B Super capacitor containing MOFs material and preparation method thereof 东莞东阳光科研发有限公司 2022-07-08 CN disclosed
CN-113178341-B Super capacitor based on MOFs material 重庆文理学院 2022-03-25 CN disclosed
US-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor OSAKA UNIVERSITY (JP) 2020-10-06 US disclosed
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR OSAKA UNIVERSITY (JP) 2019-11-07 US disclosed
EP-3564245-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR Osaka University (JP) 2019-11-06 EP disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
EP-1122746-B1 Composition for film formation and insulating film JSR CORP (JP) 2004-09-22 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4356295-A COORDINATION CATALYSTS MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1982-10-26 US disclosed
EP-0001096-B1 FLAME RETARDANT POLYCARBONATE BLENDS Mobay Chemical Corporation (US) 1982-04-14 EP disclosed
EP-0040863-A1 Flame-retardant polycarbonate polyblends Mobay Chemical Corporation (US) 1981-12-02 EP disclosed
US-4174359-A HALOGEN COMPOUND MOBAY CHEMICAL CORPORATION (US) 1979-11-13 US disclosed
EP-0001096-A2 Flame retardant polycarbonate blends Mobay Chemical Corporation (US) 1979-03-21 EP 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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor CYP24A1, CYP26B1, CYP21A2 CYP2A6 96/4885CYP1A2 115/4885NR4A2 2855/4885
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR CYP24A1, CYP26B1, CYP21A2 CYP2A6 96/4885CYP1A2 115/4885NR4A2 2855/4885

“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.