SCHEMBL3577904

SCHEMBL3577904

CC(C)c1oc2cc(F)ccc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MAOB P27338 4/20 0.42
GAA P10253 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL3589703 0.87 CA12 (0.54) CA1CA2ESR1ESR2CA12
SCHEMBL3579502 0.86 CA1 (0.58) CA1CA2ESR1ESR2CA12
SCHEMBL14185182 0.84 CA1 (0.49) CA1CA2ESR1ESR2CA12
SCHEMBL4941071 0.83 ESR1 (0.64) ESR1ESR2GAAKDM4EALDH1A1
SCHEMBL14185208 0.81 CA1 (0.46) CA1CA2ESR1ESR2CA12
SCHEMBL14185196 0.80 KDM4E (0.57) CA1CA2ESR1CA12CA9
SCHEMBL3578968 0.80 CA1 (0.50) CA1CA2ESR1ESR2CA12
SCHEMBL14185223 0.79 ESR1 (0.48) ESR1ESR2CA12CA9GAA
SCHEMBL14185202 0.79 CA12 (0.54) CA1CA2ESR1ESR2CA12
SCHEMBL3589603 0.79 GAA (0.45) CA1CA2CA12CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732435-B2 Chromone derivatives useful as antagonists of VR1 receptors NOVARTIS AG (CH) 2010-06-08 US disclosed
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors CULSHAW ANDREW JAMES 2008-12-18 US disclosed
EP-1963334-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 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-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 CA1 2466/4885CA2 628/4885ESR1 488/4885

“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.