SCHEMBL15944401

SCHEMBL15944401

Cc1ccc(SCC(C)C2CC(=O)C=C(O)C2)nc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15944427 0.87 DAO (0.32) DAO
SCHEMBL14234399 0.84 HSD17B3 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL15945558 0.82 CXCR2 (0.35)
SCHEMBL15944393 0.82 RAB9A (0.36) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL15944439 0.77 DAO (0.30) DAO
SCHEMBL15944251 0.76 DAO (0.31) DAO
SCHEMBL15944377 0.76 ALDH1A1 (0.33) DAOALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15944400 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGD
SCHEMBL17169156 0.75 DAO (0.30) DAO
SCHEMBL17169158 0.74 SLC6A2 (0.31)

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 DAO 300/4885KDM4E 214/4885NPC1 4679/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 DAO 61/4885KDM4E 3089/4885NPC1 4490/4885

“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.