SCHEMBL2773239

SCHEMBL2773239

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
NOTUM Q6P988 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 4/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL502441 0.86 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL19350101 0.84 KDM4E (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL10309779 0.83 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL31614534 0.83 MAPT (0.54) ALDH1A1CA12CA1CA2CA7
SCHEMBL2770592 0.83 ERN1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL28329861 0.83 ERN1 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL12788053 0.81 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL19699102 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL7718912 0.80 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL17083281 0.80 LOXL2 (0.56) ALDH1A1CA12CA1CA2CA7

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 5 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
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO 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 ALDH1A1 2072/4885CA12 4483/4885CA1 4489/4885

“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.