SCHEMBL15499170

SCHEMBL15499170

CCOc1ccc(CP(OCC)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PARP10 Q53GL7 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL13414934 0.87 NQO1 (0.32) NQO1CA2
SCHEMBL10729674 0.84 IDO1 (0.47) TSHRLTA4HSMN1; SMN2TP53KDM4E
SCHEMBL15496783 0.79 AGXT (0.40) TDP1ALDH1A1CA1CA2CA9
SCHEMBL18434204 0.78 IDO1 (0.39) TSHRTDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20404519 0.78 TDP1 (0.43) TSHRTDP1LMNAKDM4EALDH1A1
SCHEMBL25162036 0.78 ESR1 (0.41) LTA4HLMNATP53KDM4EALDH1A1
SCHEMBL13357069 0.78 IDO1 (0.39) LMNAKDM4EALDH1A1
SCHEMBL20374791 0.78 HRH3 (0.41)
SCHEMBL19982577 0.78 TRPA1 (0.36) TSHRALDH1A1
SCHEMBL2931114 0.77 TP53 (0.44) TSHRTDP1LTA4HTP53KDM4E

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-9709906-B2 Charge transport substance, electrophotographic photoreceptor, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-18 US disclosed
US-20150355559-A1 CHARGE TRANSPORT SUBSTANCE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2015-12-10 US disclosed
US-20140065532-A1 CHARGE TRANSPORT SUBSTANCE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2014-03-06 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-20150355559-A1 CHARGE TRANSPORT SUBSTANCE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS PDE6C, SLC18A2, SLC1A2 NQO1 644/4885TSHR 2490/4885TDP1 3316/4885

“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.