SCHEMBL4105237

SCHEMBL4105237

O=Cc1cccc2c(Cl)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.59
CYP1A2 P05177 3/20 0.59
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
NR4A2 P43354 1/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
ERN1 O75460 2/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PABPC1 P11940 1/20 0.37
TYMS P04818 2/20 0.37
DAO P14920 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
SCHEMBL31362060 1.00 CYP2A6 (0.59) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL1254074 0.86 CYP2A6 (0.59) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL4245330 0.85 MEN1 (0.61) CYP2A6MEN1KMT2AALDH1A1TDP1
SCHEMBL28120060 0.79 ALDH1A1 (0.43) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL24400471 0.78 TYMS (0.44) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL11690201 0.78 TYMS (0.44) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL3267169 0.78 CYP2A6 (0.48) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL3628055 0.77 ALDH1A1 (0.60) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL2468811 0.77 CYP1A2 (1.00) CYP2A6CYP1A2MEN1KMT2AALDH1A1
SCHEMBL29629127 0.77 CYP1A2 (1.00) CYP2A6CYP1A2MEN1KMT2AALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848359-B1 METHOD FOR PRODUCING TRIFLUOROPYRUVATE FLUORIDE DIMER, AND METHOD FOR PRODUCING PERFLUORO(2,4-DIMETHYL-2-FLUOROFORMYL-1,3-DIOXOLANE) TOSOH CORP (JP) 2024-06-12 EP disclosed
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2024-02-29 US disclosed
EP-4249489-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF Lg Chem, Ltd. (KR) 2023-09-27 EP disclosed
CN-116615199-A Heterocyclic compounds as diacylglycerol kinase inhibitors and uses thereof 株式会社LG化学 2023-08-18 CN disclosed
US-11555024-B2 Aldehyde adduct of hexafluoropropylene oxide, method of manufacturing trifluoropyruvyl fluoride dimer and method of manufacturing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) TOSOH CORPORATION (JP) 2023-01-17 US disclosed
WO-2022114812-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2022-06-02 WO disclosed
US-20210214332-A1 Aldehyde adduct of hexafluoropropylene oxide, method of manufacturing trifluoropyruvyl fluoride dimer and method of manufacturing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) TOSOH CORPORATION (JP) 2021-07-15 US disclosed
EP-3848359-A1 ALDEHYDE ADDUCT TO HEXAFLUOROPROPYLENE OXIDE, METHOD FOR PRODUCING TRIFLUOROPYRUVATE FLUORIDE DIMER, AND METHOD FOR PRODUCING PERFLUORO(2,4-DIMETHYL-2-FLUOROFORMYL-1,3-DIOXOLANE) Tosoh Corporation (JP) 2021-07-14 EP disclosed
CN-111499667-A Method for synthesizing trivalent tetraarylferriporphyrin from pyrrole, aromatic aldehyde and ferrous salt 沅江华龙催化科技有限公司 2020-08-07 CN disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
CN-101155817-A Dihydroimidazothiazole derivatives PROSIDION LTD (GB) 2008-04-02 CN disclosed
EP-0746320-B1 HIV PROTEASE INHIBITORS AND INTERMEDIATES LILLY CO ELI (US) 2001-01-31 EP disclosed
US-5734057-A VIRICIDE ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
EP-0746320-A4 HIV PROTEASE INHIBITORS AND INTERMEDIATES LILLY CO ELI (US) 1997-06-11 EP disclosed
EP-0746320-A1 HIV PROTEASE INHIBITORS AND INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
WO-1995020965-A1 HIV PROTEASE INHIBITORS AND INTERMEDIATES ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
US-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 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 (4 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A CYP2A6 447/4885CYP1A2 137/4885MEN1 2481/4885
US-11555024-B2 Aldehyde adduct of hexafluoropropylene oxide, method of manufacturing trifluoropyruvyl fluoride dimer and method of manufacturing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) PFAS, PFDN2, AFF2 CYP2A6 950/4885CYP1A2 271/4885MEN1 4247/4885
US-20210214332-A1 Aldehyde adduct of hexafluoropropylene oxide, method of manufacturing trifluoropyruvyl fluoride dimer and method of manufacturing perfluoro(2,4-dimethyl-2-fluoroformyl-1,3-dioxolane) PFAS, PFDN2, AFF2 CYP2A6 950/4885CYP1A2 271/4885MEN1 4247/4885
US-20240067645-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF DGKA, DGKB, DGKK CYP2A6 1877/4885CYP1A2 1258/4885MEN1 1702/4885

“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.