SCHEMBL1176772

SCHEMBL1176772

CCc1cc(=O)cc(C)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4479222 0.85 NQO1 (0.43) NQO1MAPTALDH1A1SMN1; SMN2
SCHEMBL9625655 0.80 NQO1 (0.58) NQO1CA1CA9MEN1KMT2A
SCHEMBL9574935 0.80 NQO1 (0.58) NQO1CA1CA9MEN1KMT2A
SCHEMBL9586 0.77
SCHEMBL19215535 0.76 NQO1 (0.36) NQO1MEN1KMT2AGLACYP3A4
Hydrochloric Acid SCHEMBL10821353 0.75 NQO1 (0.94) NQO1CA1CA9MEN1KMT2A
SCHEMBL4701222 0.72 NQO1 (0.48) NQO1GLAKDM4EALDH1A1
SCHEMBL13891669 0.72 ALOX15 (0.36) NQO1MEN1KMT2AALDH1A1
SCHEMBL9008648 0.70 NQO1 (0.64) NQO1CA1CA9MEN1KMT2A
SCHEMBL18800852 0.70 NQO1 (0.33) NQO1CA1CA9KDM4E

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
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 EP 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L NQO1 369/4885CA1 1120/4885CA9 1340/4885

“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.