SCHEMBL874358

SCHEMBL874358

O=CC(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL20765676 1.00 CYP2D6 (0.44) CYP2D6SRCDPP4F2TSHR
SCHEMBL16924879 0.76 DPP4 (0.39) CYP2D6SRCDPP4F2TSHR
SCHEMBL11324732 0.75 CYP2A6 (0.42) ALDH1A1CYP2A6LMNAKMT2A
SCHEMBL743684 0.75 CA1 (0.32)
SCHEMBL22498339 0.75 HSD17B10 (0.42) TSHRCYP2A6LMNAMAPK1
SCHEMBL11782888 0.74 DPP4 (0.38) CYP2D6SRCDPP4F2TSHR
SCHEMBL3949902 0.74 DPP4 (0.38) CYP2D6DPP4F2TSHRLMNA
SCHEMBL3322544 0.74 TSHR (0.38) CYP2D6SRCDPP4F2TSHR
SCHEMBL28845872 0.74 DPP4 (0.38) CYP2D6SRCDPP4F2TSHR
SCHEMBL7755282 0.73 ALDH1A1 (0.45) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574138-A Method for preparing alpha, alpha-fluorobenzyl ketone compound by using photocatalytic microchannel 南京工业大学 2021-03-30 CN claimed
CN-105085439-B A kind of preparation method of epoxiconazole intermediate 江苏七洲绿色化工股份有限公司 2018-03-16 CN claimed
CN-105085439-A Preparation method for epoxiconazole intermediate JIANGSU SEVENCONTINENT GREEN CHEMICAL CO LTD 2015-11-25 CN claimed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
CN-102040498-A Method for preparing cyclopropyl o-fluobenzyl ketone TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2011-05-04 CN claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
JP-6135804-A None JP disclosed
US-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD 2024-07-25 US disclosed
EP-4313985-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE Equinorm Ltd (FI) 2024-02-07 EP disclosed
CN-117412975-A Heterocyclic compounds and their use 伊科诺姆有限公司 2024-01-16 CN disclosed
CN-114671841-B Flavanone compound and preparation method and application thereof 深圳大学 2023-09-22 CN disclosed
WO-2022207979-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD (FI) 2022-10-06 WO disclosed
WO-2005056498-A2 METHOD FOR THE PRODUCTION OF 2,3-CIS-SUBSTITUTED 2-ARYL PROPENALS BASF AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
JP-H06135804-A INSECTICIDAL AND MOTHPROOF AGENT COMPRISING POLYFLUOROBENZYL KETONE DERIVATIVE AND INSECTICIDAL AND NOTHPROOF METHOD USING THE SAME DAINIPPON JOCHUGIKU CO LTD 1994-05-17 JP disclosed
EP-0102227-B1 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1989-05-03 EP disclosed
US-4607037-A Cardiotonic 2(1H)-pyridinones WARNER-LAMBERT COMPANY (US) 1986-08-19 US disclosed
US-4503061-A Substituted phenyl-pyridinones as cardiotonic agents WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0102227-A2 2(1H)-pyridinones, useful as cardiotonic agents, and their production WARNER-LAMBERT COMPANY (US) 1984-03-07 EP disclosed
US-4215044-A FLUORINATION OF AN UNSATURATED SILANOL COMPOUND WITH A PERHALOGENATED HYPOFLUORITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-29 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-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE CNR1, CNR2, OPRK1 CYP2D6 54/4885SRC 1088/4885DPP4 3249/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CYP2D6 3447/4885SRC 3819/4885DPP4 125/4885

“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.