SCHEMBL15944377

SCHEMBL15944377

Cc1ccc(SCCC2CC(=O)C=C(O)C2)nc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
DAO P14920 1/20 0.31
POLB P06746 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NOTUM Q6P988 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
SCHEMBL14234557 0.82 ALDH1A1 (0.44) ALDH1A1PKMDAOL3MBTL1
SCHEMBL14234215 0.81 HPGD (0.39) ALDH1A1SMN1; SMN2
SCHEMBL15944412 0.78 ALDH1A1 (0.31) ALDH1A1POLBALOX12HTTSMN1; SMN2
SCHEMBL15944439 0.76 DAO (0.30) DAO
SCHEMBL15944401 0.76 DAO (0.32) ALDH1A1DAOSMN1; SMN2HSD17B10
SCHEMBL15944427 0.75 DAO (0.32) DAO
SCHEMBL15944264 0.75 DAO (0.30) DAO
SCHEMBL17169170 0.75 ALDH1A1 (0.32) ALDH1A1PKMDAOSMN1; SMN2
SCHEMBL15944376 0.74 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1
SCHEMBL15944366 0.74 NPC1 (0.33) PKMSMN1; SMN2

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 ALDH1A1 1329/4885PKM 2407/4885DAO 300/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885PKM 1010/4885DAO 61/4885

“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.