SCHEMBL2773084

SCHEMBL2773084

COC(=O)c1ccc(-c2ccc(O)cc2C)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
HSD17B1 P14061 1/20 0.54
XDH P47989 1/20 0.53
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
ESR2 Q92731 3/20 0.49
ESR1 P03372 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL6886978 0.92 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL16937873 0.91 TDP1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL14950616 0.87 TDP1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL14950619 0.87 TDP1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL497983 0.87 HSD17B1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL6883774 0.87 HSD17B1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28268790 0.84 KDM4E (0.54) CA12CA1CA2CA7CA9
SCHEMBL26681146 0.83 SLC2A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL410258 0.83 PDK2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL17669510 0.82 FFAR1 (0.46) CA12CA1CA2CA7CA9

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 CA12 4483/4885CA1 4489/4885CA2 4145/4885

“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.