SCHEMBL2770592

SCHEMBL2770592

COC(=O)c1ccc(F)c(CC=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
ALDH1A1 P00352 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
NOTUM Q6P988 2/20 0.44
DPP4 P27487 2/20 0.44
MPO P05164 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL27359237 0.88 DPP4 (0.47) ERN1ALDH1A1CA12CA1CA2
SCHEMBL20660848 0.85 HTT (0.50) ERN1ALDH1A1CA12CA1CA2
SCHEMBL4115648 0.83 CA12 (0.50) ERN1ALDH1A1CA12CA1CA2
SCHEMBL19350101 0.83 KDM4E (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL2773239 0.83 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL12808621 0.82 CA12 (0.49) ERN1ALDH1A1CA12CA1CA2
SCHEMBL31371189 0.82 CA12 (0.49) ERN1ALDH1A1CA12CA1CA2
SCHEMBL1861575 0.82 CA1 (0.49) ERN1ALDH1A1CA12CA1CA2
SCHEMBL31614534 0.81 MAPT (0.54) ERN1ALDH1A1CA12CA1CA2
SCHEMBL28329861 0.81 ERN1 (0.49) ERN1ALDH1A1CA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 ERN1 2948/4885ALDH1A1 2072/4885CA12 4483/4885

“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.