SCHEMBL1508701

SCHEMBL1508701

CCOC(=O)/C=C/c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
TTR P02766 1/20 0.45
DPP4 P27487 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
MAOB P27338 4/20 0.44
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
HSD17B1 P14061 1/20 0.41

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
SCHEMBL1508785 1.00 ESR1 (0.47) ESR1TTRDPP4CA12CA1
SCHEMBL3901776 0.86 ESR1 (0.53) ESR1TTRDPP4CA12CA1
SCHEMBL3901782 0.86 ESR1 (0.53) ESR1TTRDPP4CA12CA1
SCHEMBL16077437 0.86 CA12 (0.55) ESR1TTRDPP4CA12CA1
SCHEMBL6911478 0.84 ESR1 (0.43) ESR1TTRDPP4CA12CA1
SCHEMBL4514544 0.83 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL4514546 0.83 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL13678677 0.83 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL30235603 0.83 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL8375820 0.83 POLB (0.56) ESR1TTRDPP4CA12CA1

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-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 ESR1 2912/4885TTR 2160/4885DPP4 1140/4885

“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.