SCHEMBL7072176

SCHEMBL7072176

CC(C(=O)O)(C(=O)O)c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
CA1 P00915 1/20 0.45
CA6 P23280 1/20 0.45
CYP3A4 P08684 3/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KIF11 P52732 3/20 0.42
CYP1A2 P05177 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL1643008 0.84 HSD17B1 (0.53) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL26629506 0.84 HSD17B1 (0.49) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL16060086 0.82 HSD17B1 (0.44) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL27965752 0.81 HDAC3 (0.47) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL31092504 0.81 HSD17B1 (0.43) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL28371406 0.79 CA12 (0.48) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL4214693 0.79 CA12 (0.48) CA12CA2CA9HSD17B1HSD17B2
SCHEMBL15123482 0.78 KMT2A (0.45) CA2CA9CA1ALDH1A1LMNA
SCHEMBL1560417 0.78 MAPT (0.54) CYP3A4ESR1ESR2ALDH1A1CYP1A2
SCHEMBL1634402 0.78 KIF11 (0.43) CA12CA2CA9HSD17B1HSD17B2

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA CA12 4883/4885CA2 4783/4885CA9 4874/4885

“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.