SCHEMBL97275

SCHEMBL97275

CC([C]=O)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
P2RX3 P56373 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9421512 0.94 MAOA (0.44) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8889549 0.83 RAB9A (0.40) POLBKDM4EMEN1RAB9AKMT2A
SCHEMBL5803766 0.81 TAS1R3 (0.48) L3MBTL1ALDH1A1KDM4EPPARGPPARA
SCHEMBL11190533 0.79 HTR2A (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL9415979 0.79 ESR2 (0.41) CYP1A2CYP2C9CYP2C19KDM4EGAA
SCHEMBL99367 0.79 GRM5 (0.35) CYP2C19
SCHEMBL11685356 0.79 TDP1 (0.43) POLBALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL11156880 0.79 L3MBTL1 (0.45) POLBCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL11328816 0.79 LDHA (0.47) L3MBTL1ALDH1A1KDM4EPPARGPPARA
SCHEMBL9353539 0.78 MTNR1A (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP claimed
EP-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP claimed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US claimed
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 US claimed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US claimed
CN-104039785-A Heterocyclylpyrazoles as fungicides BAYER IP GMBH 2014-09-10 CN claimed
EP-2763993-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE Bayer Intellectual Property GmbH (DE) 2014-08-13 EP claimed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP claimed
CN-103958518-A Heterocyclylpyri(mi)dinylpyrazole BAYER IP GMBH 2014-07-30 CN claimed
WO-2013050434-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO claimed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO claimed
WO-2024129931-A1 ALPHA-V BETA-6(ανβ6) INTEGRIN LIGANDS FOR EXTRAHEPATIC DELIVERY ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP disclosed
US-9314026-B2 Heterocyclylpyri(mi)dinylpyrazole BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed
EP-0094348-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 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-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 POLB 1306/4885CYP1A2 82/4885CYP2C9 353/4885
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE H1-0, NQO2, CCNI POLB 866/4885CYP1A2 134/4885CYP2C9 586/4885

“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.