SCHEMBL15944442

SCHEMBL15944442

CCc1cc(C)ccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.39
LPL P06858 2/20 0.39
CA2 P00918 1/20 0.39
AMY1A P0DUB6 1/20 0.38
SRC P12931 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Bromide SCHEMBL31135076 0.96 LIPG (0.37) LIPGLPLCA2AMY1ASRC
Dimethylamine SCHEMBL29217957 0.92 AMY1A (0.38) LIPGLPLCA2AMY1ASRC
SCHEMBL17419154 0.83 LIPG (0.39) LIPGLPLCA2AMY1ASRC
SCHEMBL14345754 0.78 TYR (0.42) LIPGMAPTHTT
SCHEMBL3790461 0.78 LIPG (0.50) LIPGLPLCA2MAPTCYP1A2
SCHEMBL16576670 0.78 LIPG (0.35) LIPGLPLCA2AMY1ASRC
SCHEMBL407958 0.77 SMN1; SMN2 (0.41) LIPGCA2MAPTRXFP1CYP1A2
SCHEMBL12556949 0.77 HIF1A (0.42) LIPGMAPTTAAR1CYP2C9CYP2C19
SCHEMBL15780079 0.77 CXCR1 (0.41) LIPGLPLMAPTHTTSMN1; SMN2
SCHEMBL3790660 0.77 PRKCI (0.44) LIPGLPLMAPTCYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9414588-B2 Herbicide composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-16 US disclosed
US-20150289505-A1 HERBICIDE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-9101140-B2 Cyclohexanone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-11 US disclosed
US-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-14 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-20140228219-A1 CYCLOHEXANONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, CBR1, CYP2S1 LIPG 4610/4885LPL 4624/4885CA2 290/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 LIPG 4009/4885LPL 3539/4885CA2 737/4885

“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.