SCHEMBL2085740

SCHEMBL2085740

CCOC(=O)c1coc2cc(-c3ccc(O)cc3C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAOB P27338 4/20 0.45
ALDH2 P05091 6/20 0.45
MAOA P21397 3/20 0.44
MIF P14174 1/20 0.44
PFKFB3 Q16875 1/20 0.44
AKR1B1 P15121 1/20 0.44
PIM1 P11309 1/20 0.42
IRAK1 P51617 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
PIM3 Q86V86 1/20 0.42
HSD17B1 P14061 1/20 0.42
ALOX5 P09917 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
SCHEMBL741818 0.86 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2083542 0.85 HSD17B1 (0.41) CA12CA7MAOBALDH2MAOA
SCHEMBL28564405 0.79 NPC1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2083597 0.78 ESR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL914727 0.75 MAOB (0.53) CA12CA1CA2CA7CA9
SCHEMBL2728922 0.75 MAOB (0.53) CA12CA1CA2CA7CA9
SCHEMBL31661203 0.75 MAOB (0.53) CA12CA1CA2CA7CA9
SCHEMBL2728294 0.75 MAOB (0.53) CA12CA1CA2CA7CA9
SCHEMBL28661980 0.74 HSD17B1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2317769 0.74 MAOB (0.52) CA12CA2CA7CA9CA14

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
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR CA12 4473/4885CA1 4563/4885CA2 3527/4885

“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.