SCHEMBL2076830

SCHEMBL2076830

CC(C)(C)OC(=O)c1ccc2cccc-2cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
STAT3 P40763 1/20 0.46
MAPT P10636 1/20 0.45
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDK2 Q15119 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6355405 0.94 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL6350965 0.94 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL21228271 0.88 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL109451 0.87 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL28943519 0.87 CA12 (0.52) CA12CA1CA2CA9CA14
SCHEMBL19497926 0.86 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL26879464 0.86 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL1853389 0.86 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL3531288 0.85 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL8097425 0.85 CA12 (0.66) CA12CA1CA2CA9CA14

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
JP-2007505908-A 2007-03-15 JP claimed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP claimed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO claimed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 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-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CA12 4863/4885CA1 4706/4885CA2 4819/4885

“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.