SCHEMBL148866

SCHEMBL148866

Cc1c[c]cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP1A2 P05177 8/20 0.46
▸ TSHR P16473 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ HPRT1 P00492 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BACE1 P56817 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL2701203 0.80 CYP1A2 (0.41) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL18317632 0.79 HPRT1 (0.50) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL18318544 0.79 HSD17B10 (0.47) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL15987524 0.77 CYP2A6 (0.43) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL2251887 0.74 — —
SCHEMBL4474923 0.73 CYP1A2 (0.54) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL385872 0.73 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL8696713 0.73 CYP1A2 (0.52) CYP2A6ALDH1A1CYP1A2HSD17B10TDP1
SCHEMBL5144512 0.73 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10
Water SCHEMBL27857237 0.72 CYP2A6 (0.94) CYP2A6ALDH1A1CYP1A2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261302-B2 ORGANIC ELECTROLUMINESCENCE DEVICE AND ANTHRACENE DERIVATIVE IDEMITSU KOSAN CO (JP) 2019-05-08 — — EP claimed
CN-105074950-B Organic electroluminescence device with hot activation delayed fluorescence material 默克专利有限公司 2018-05-11 — — CN claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 — — US claimed
CN-105074950-A Organic electroluminescent device with thermally activated delayed fluorescence material MERCK PATENT GMBH 2015-11-18 — — CN claimed
CN-104851982-A Organic electroluminescent device MERCK PATENT GMBH 2015-08-19 — — CN claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 — — US claimed
CN-102292841-A Organic electroluminescent device — 2011-12-21 — — CN claimed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 — — US claimed
WO-2011110262-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2011-09-15 — — WO claimed
EP-2358842-A1 ORGANIC ELECTROLUMINESCENT DEVICE Merck Patent GmbH (DE) 2011-08-24 — — EP claimed
US-4190574-A CHROMOPHORE- OR FLUORESCENT-SUBSTITUTED OLIGOPEPTIDE PENTAPHARM A.G. (CH) 1980-02-26 — — US claimed
US-20240218113-A1 CYCLOOLEFIN COPOLYMER AND HYDROGENATED PRODUCT THEREOF, AND OPTICAL ELEMENT ZEON CORPORATION (JP) 2024-07-04 — — US disclosed
EP-3604377-B1 SHAPING MATERIAL, RESIN SHAPED PRODUCT, COSMETIC CONTAINER, SEMICONDUCTOR CONTAINER, AND METHOD OF PRODUCING SEMICONDUCTOR CONTAINER ZEON CORP (JP) 2024-06-26 — — EP disclosed
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 — — EP disclosed
US-11931412-B2 JAK1 inhibitors and uses thereof WASHINGTON UNIVERSITY (US) 2024-03-19 — — US disclosed
US-4407817-A Fungicidal 3-(N-acyl-N-arylamino)- and 3-(N-thionoacyl-N-arylamino)-gamma-butyrolactones and gamma-thiobutyrolactones CHEVRON RESEARCH COMPANY (US) 1983-10-04 — — US disclosed
US-4310463-A CHEMICAL INTERMEDIATES CHEVRON RESEARCH (US) 1982-01-12 — — US disclosed
EP-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 — — EP disclosed
US-4269849-A ESPECIALLY EFFECTIVE FOR MILDEW INFECTIONS AND THOSE CAUSED BY PHYTOPHTHORA CHEVRON RESEARCH COMPANY (US) 1981-05-26 — — US disclosed
US-4241078-A Fungicidal 3-(N-acyl-N-arylamino)-gamma-butyrolactones and gamma-butyrothiolactones CHEVRON RESEARCH COMPANY (US) 1980-12-23 — — 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 (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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 CYP2A6 4712/4885ALDH1A1 4200/4885CYP1A2 4838/4885
US-11931412-B2 JAK1 inhibitors and uses thereof JAK1, JAK3, JAK2 CYP2A6 4099/4885ALDH1A1 1366/4885CYP1A2 3778/4885

“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.

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