SCHEMBL2772016

SCHEMBL2772016

CCCc1ccc(O)cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA7 P43166 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
EGFR P00533 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
CKS1B P61024 1/20 0.46

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
SCHEMBL2318550 0.88 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL4039654 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2773966 0.85 KDM4E (0.54) CA1CA2ALDH1A1HSD17B10CYP1A2
SCHEMBL10633837 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL22279672 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL21391569 0.82 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8233234 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13893820 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL31444122 0.81 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL16863862 0.81 PRKCI (0.50) 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.