SCHEMBL3106338

SCHEMBL3106338

O=C(O)/C=C/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.83
CYP1A2 P05177 2/20 0.83
KDM4E B2RXH2 3/20 0.79
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MAPT P10636 2/20 0.61
HDAC6 Q9UBN7 2/20 0.59
MAOB P27338 3/20 0.58
CNR2 P34972 1/20 0.57
TRPV1 Q8NER1 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CXCL12 P48061 1/20 0.55
GABRA1 P14867 2/20 0.54
GABRB2 P47870 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAOA P21397 2/20 0.54
CTSD P07339 1/20 0.54

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
SCHEMBL3106343 1.00 HSD17B10 (0.83) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL11460093 0.91 HSD17B10 (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL11460092 0.91 HSD17B10 (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL447578 0.91 HSD17B10 (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL29429112 0.91 HSD17B10 (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL288595 0.91 HSD17B10 (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Piperic Acid SCHEMBL28765417 0.89 HSD17B10 (0.97) HSD17B10CYP1A2KDM4ENPC1RAB9A
SCHEMBL2730205 0.89 KDM4E (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
SCHEMBL2730201 0.89 KDM4E (1.00) HSD17B10CYP1A2KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL28538962 0.87 KDM4E (0.97) HSD17B10CYP1A2KDM4ENPC1RAB9A

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP disclosed
US-20060094874-A1 Novel substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2006-05-04 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-20060094874-A1 Novel substituted aryl alkenoic acid heterocyclic amides FABP1, LIPC, FABP2 HSD17B10 169/4885CYP1A2 70/4885KDM4E 1636/4885
US-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK HSD17B10 164/4885CYP1A2 154/4885KDM4E 1769/4885

“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.