SCHEMBL97979

SCHEMBL97979

O=[C]c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
PTPN1 P18031 2/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 2/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ACP3 P15309 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL17103562 0.83 PTPN1 (0.41) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL17103591 0.83 PTPN1 (0.41) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL2273427 0.82 TSHR (0.52) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL30873473 0.82 GRM5 (0.58) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL17103401 0.80 PTPN1 (0.39) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL8699521 0.79 CYP1A2 (0.37) TSHRMAPK1PTPN1FFAR1MAPT
SCHEMBL2321711 0.79 KIF11 (0.53) PTPN1MGLL
SCHEMBL933875 0.78 PTPN1 (0.61) CES2TSHRMAPK1PTPN1FFAR1
SCHEMBL9204669 0.78 TSHR (0.42) TSHRPTPN1FFAR1
SCHEMBL738036 0.78 TSHR (0.54) CES2TSHRMAPK1PTPN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
CN-113461639-B Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2022-11-01 CN claimed
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP claimed
EP-0038223-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1984-08-08 EP claimed
EP-0038987-B1 PROCESS FOR PREPARING ACYL CYANIDES BAYER AG (DE) 1983-06-08 EP claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
US-4301167-A ANTIINFLAMMATORY AGENTS, ANALGESICS INSTITUT MERIEUX (FR) 1981-11-17 US claimed
US-4240823-A New plant growth regulating compositions which contain derivatives of N-acyl methionine PHILAGRO S.A. (FR) 1980-12-23 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed
US-3951964-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-20 US claimed
US-3943132-A Process for the preparation of hydrazones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CES2 681/4885TSHR 2014/4885MAPK1 2130/4885

“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.