SCHEMBL6862739

SCHEMBL6862739

C=C(C)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
PARP1 P09874 1/20 0.52
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ACHE P22303 1/20 0.44
PLA2G7 Q13093 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL167439 0.83 FURIN (0.43) HDAC6
SCHEMBL8761571 0.81 CES2 (0.60) CES2CES1PARP1PTGS1PTGS2
SCHEMBL28863383 0.81 CES2 (0.60) CES2CES1PARP1PTGS1PTGS2
SCHEMBL16230721 0.81 CES2 (0.50) CES2CES1PARP1PTGS1PTGS2
SCHEMBL6252421 0.80 FURIN (0.41) KDM4EALDH1A1
SCHEMBL17421702 0.80 FURIN (0.41) KDM4EALDH1A1
SCHEMBL30834584 0.80 FURIN (0.41) KDM4EALDH1A1
SCHEMBL6472416 0.79 CES2 (0.70) CES2CES1PARP1PTGS1PTGS2
SCHEMBL14537112 0.79 CES2 (0.59) CES2CES1PARP1PTGS1PTGS2
SCHEMBL27937666 0.79 CES2 (0.59) CES2CES1PARP1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454136-A Catalyst for catalyzing hydroformylation reaction of gem-disubstituted aromatic olefin and preparation method and application thereof 中国科学院上海高等研究院 2020-07-28 CN claimed
CN-113788825-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际有限公司 2024-06-04 CN disclosed
WO-2023189969-A1 RESIST COMPOSITION AND METHOD FOR FORMING RESIST PATTERN 日本ゼオン株式会社 2023-10-05 WO disclosed
US-11644752-B2 Polymer, positive resist composition, and method of forming resist pattern ZEON CORPORATION (JP) 2023-05-09 US disclosed
US-11644752-B2 Polymer, positive resist composition, and method of forming resist pattern ZEON CORPORATION (JP) 2023-05-09 US disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
EP-3844161-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-11-09 EP disclosed
US-11215925-B2 Method of forming resist pattern ZEON CORPORATION (JP) 2022-01-04 US disclosed
US-20210397097-A1 METHOD OF PRODUCING MOLDED PRODUCT, RESIST FOR COLLECTIVE MOLDING WITH IMPRINT-ELECTRONIC LITHOGRAPHY, METHOD OF PRODUCING REPLICA MOLD, METHOD OF PRODUCING DEVICE, AND IMPRINT MATERIAL TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-12-23 US disclosed
CN-113788825-A Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际有限公司 2021-12-14 CN disclosed
WO-2014011429-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-01-16 WO disclosed
EP-2182002-A1 Novel compounds for electronic material and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO disclosed
EP-0435794-A1 Alkenyl- or heteroaryl thio, sulfone, sulfoxy herbicides RHONE-POULENC AGROCHIMIE (FR) 1991-07-03 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CES2 411/4885CES1 330/4885PARP1 3529/4885
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 CES2 1684/4885CES1 3530/4885PARP1 522/4885

“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.