SCHEMBL7905993

SCHEMBL7905993

Cc1ccc(/C=C\C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.66
JUN P05412 1/20 0.66
HCAR2 Q8TDS4 2/20 0.65
CA12 O43570 2/20 0.65
AKR1B10 O60218 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA3 P07451 2/20 0.65
AKR1B1 P15121 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
DPP4 P27487 2/20 0.65
CA5A P35218 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
CA5B Q9Y2D0 2/20 0.65
ESR1 P03372 1/20 0.65
PKM P14618 1/20 0.65
TYR P14679 1/20 0.65

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
SCHEMBL80447 1.00 FOS (0.66) FOSJUNHCAR2CA12AKR1B10
SCHEMBL80446 1.00 FOS (0.66) FOSJUNHCAR2CA12AKR1B10
SCHEMBL389190 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Ammonia Solution, Strong SCHEMBL6327693 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Hydrochloric Acid SCHEMBL9445643 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Ammonia Solution, Strong SCHEMBL6327696 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Water SCHEMBL2958855 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Water SCHEMBL2958859 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
SCHEMBL389191 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10
Hydrochloric Acid SCHEMBL27093060 0.98 FOS (0.63) FOSJUNHCAR2CA12AKR1B10

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-20170143748-A1 ANTI-TUMOR PHARMACEUTICAL APPLICATION OF PENTACYCLIC TRITERPENE SAPONIN COMPOUNDS OF SZECHUAN MELANDIUM ROOT WANG XUEYONG (CN) 2017-05-25 US disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 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-20170143748-A1 ANTI-TUMOR PHARMACEUTICAL APPLICATION OF PENTACYCLIC TRITERPENE SAPONIN COMPOUNDS OF SZECHUAN MELANDIUM ROOT MC1R, FZD7, MITF FOS 2008/4885JUN 333/4885HCAR2 3622/4885

“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.