SCHEMBL15944366

SCHEMBL15944366

Cc1ccc(SCCC2CC(=O)C(c3ccccc3C)=C(O)C2)nc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
BTK Q06187 1/20 0.32
OPRL1 P41146 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
SCHEMBL15944362 0.90 NPC1 (0.32) NPC1TP53PKMSTAT3STAT1
SCHEMBL15944361 0.90 MAPK1 (0.32) NPC1TP53PKMSTAT3STAT1
SCHEMBL15945527 0.88 ALDH1A1 (0.41) PKMRAB9ASMN1; SMN2
SCHEMBL15944264 0.85 DAO (0.30)
SCHEMBL15944280 0.84 HPGD (0.39) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL15944443 0.82
SCHEMBL15944253 0.81
SCHEMBL15944364 0.80 KDM4E (0.34) PKM
SCHEMBL15944441 0.79 NMT1 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL15945526 0.76 ALDH1A1 (0.41) NPC1PKMRAB9A

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 NPC1 4679/4885TP53 4069/4885PKM 2407/4885
US-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 NPC1 4490/4885TP53 3344/4885PKM 1010/4885

“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.