SCHEMBL17169170

SCHEMBL17169170

Cc1ccc(SCCC2C=C(O)CC(=O)C2)nc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DAO P14920 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
SCHEMBL17172429 0.83 ALDH1A1 (0.43) ALDH1A1PKMRAB9ASMN1; SMN2DAO
SCHEMBL15944377 0.75 ALDH1A1 (0.33) ALDH1A1PKMSMN1; SMN2DAO
SCHEMBL15944376 0.66 ALDH1A1 (0.44) ALDH1A1RAB9A
SCHEMBL15944253 0.66
SCHEMBL15944361 0.65 MAPK1 (0.32) PKMNPC1RAB9ASMN1; SMN2
SCHEMBL15944364 0.65 KDM4E (0.34) ALDH1A1PKM
SCHEMBL15944362 0.65 NPC1 (0.32) PKMNPC1RAB9ASMN1; SMN2
SCHEMBL13990864 0.65 KDM4E (0.44) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL15944443 0.64
SCHEMBL13173488 0.64 NOS3 (0.42) ALDH1A1PKMNPC1RAB9A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150289505-A1 HERBICIDE COMPOSITION DDT, DHFR, DERL1 ALDH1A1 215/4885PKM 1010/4885NPC1 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.