SCHEMBL1040694

SCHEMBL1040694

Cc1cc(C(C)(C)C)cc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTR1D P28221 3/20 0.42
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
HTR1B P28222 2/20 0.34
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5AP P20292 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.31
HSD11B1 P28845 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL24610554 0.88 GABRB2 (0.40) POLBHTR1DGABRA1GABRB2ALOX15
SCHEMBL12251281 0.83 POLB (0.52) POLBHTR1DGABRA1GABRB2CYP3A4
SCHEMBL24610569 0.82 GABRB2 (0.36) POLBHTR1DGABRA1GABRB2CYP3A4
SCHEMBL13550139 0.82 RAPGEF4 (0.43) GABRB2CYP3A4CHRM1ALOX15MAOA
SCHEMBL1042661 0.80 GABRA1 (0.34) POLBHTR1DGABRA1GABRB2CYP3A4
SCHEMBL12016747 0.76 POLB (0.46) POLBHTR1DGABRA1GABRB2CYP3A4
SCHEMBL12913252 0.76 POLB (0.46) POLBHTR1DGABRA1GABRB2CYP3A4
SCHEMBL12390583 0.75 POLB (0.44) POLBHTR1DGABRA1GABRB2ALOX15
SCHEMBL22861248 0.75 CYP2C19 (0.35) HTR1DGABRA1GABRB2AKR1C3AKR1C2
SCHEMBL17594503 0.74 POLB (0.44) POLBHTR1DGABRA1GABRB2CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 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 (4 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 POLB 1470/4885HTR1D 3484/4885GABRA1 4418/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 POLB 1470/4885HTR1D 3484/4885GABRA1 4418/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT POLB 1812/4885HTR1D 1842/4885GABRA1 616/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 POLB 2002/4885HTR1D 1829/4885GABRA1 1973/4885

“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.