SCHEMBL15944262

SCHEMBL15944262

CCc1cc(N[C@H](C=O)Cc2ccccc2)cc(CC)c1C1=C(O)CC(CCSc2ccc(C)cc2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CAPN1 P07384 3/20 0.32
CTSB P07858 1/20 0.32
RAB9A P51151 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
SCHEMBL15944319 0.84 CAPN1 (0.35) MAPTTDP1HTTATMNPSR1
SCHEMBL17193320 0.82 CAPN1 (0.32) CAPN1
SCHEMBL15944292 0.80 ALDH1A1 (0.33) MAPTTDP1NPSR1KMT2AMEN1
SCHEMBL14234190 0.80 ALDH1A1 (0.34) MAPTTDP1NPSR1KMT2AMEN1
SCHEMBL14234826 0.79 ALDH1A1 (0.34) MAPTKMT2AMEN1RAB9A
SCHEMBL15944282 0.79 MEN1 (0.33) MAPTTDP1HTTATMNPSR1
SCHEMBL15944270 0.76 ALDH1A1 (0.33) MAPTHTTKMT2AMEN1RAB9A
SCHEMBL15944363 0.76
SCHEMBL15944277 0.75 ALDH1A1 (0.34) MAPTTDP1NPSR1KMT2AMEN1
SCHEMBL14234810 0.75

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 MAPT 4773/4885TDP1 3867/4885HTT 3503/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 MAPT 1013/4885TDP1 3328/4885HTT 750/4885

“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.