SCHEMBL1010227

SCHEMBL1010227

FC(F)C(F)(F)Oc1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.31
SCN9A Q15858 1/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL17133967 0.85 ALDH1A1 (0.35) TRPV1ALDH1A1TSHRHSD17B10
SCHEMBL6355243 0.85 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10
SCHEMBL7531665 0.85 LMNA (0.39) ALDH1A1TSHRHSD17B10
SCHEMBL1907911 0.83 ALDH1A1 (0.48) TRPV1ALDH1A1TSHRHSD17B10PTGES2
SCHEMBL9799613 0.83 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL9032309 0.82 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10MAPTEPHX2
SCHEMBL17133919 0.81
SCHEMBL41971 0.78 MAPT (0.42) TRPV1ALDH1A1TSHRHSD17B10PIM1
SCHEMBL28513358 0.76 MAPT (0.41) TRPV1ALDH1A1TSHRHSD17B10PIM1
SCHEMBL9325490 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP claimed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO claimed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP claimed
US-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP claimed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US claimed
EP-1443937-B1 SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2008-06-18 EP claimed
US-7067512-B2 Substituted 1,4-benzodiazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2006-06-27 US claimed
EP-1443937-A1 SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-11 EP claimed
EP-0625520-A2 Thiazolotriazole and thiazolodiazole derivatives with fungicidal activity ISAGRO S.r.l. (IT) 1994-11-23 EP claimed
US-5334609-A Used in agriculture MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-08-02 US claimed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP claimed
EP-0554957-A2 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP claimed
US-5137879-A Fungicide, miticide and insecticide DOWELANCO (US) 1992-08-11 US claimed
EP-0336132-A1 1-Phenylpropyl compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-10-11 EP claimed
EP-0314038-A1 Pyrrolidines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-05-03 EP claimed
EP-0065197-A1 Substituted 1,3-dioxanes, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-11-24 EP claimed
US-4336264-A 1-Benzoyl-3-(isoxazolyl or benzisoxazolyl)-ureas and insecticidal use thereof ELI LILLY AND COMPANY (US) 1982-06-22 US claimed
US-4043791-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1977-08-23 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 (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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE TRPV1 794/4885ALDH1A1 606/4885TSHR 1420/4885
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR TRPV1 2069/4885ALDH1A1 249/4885TSHR 608/4885

“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.