SCHEMBL10014219

SCHEMBL10014219

O=C(c1ccccc1)C(Oc1ccc(OC(C(=O)c2ccccc2)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
SRD5A2 P31213 1/20 0.49
CHRM1 P11229 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ADRB2 P07550 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
Benzene SCHEMBL28852022 0.96 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL183096 0.96 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2APOLB
Water SCHEMBL28198914 0.94 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL10446462 0.93 SRD5A2 (0.59) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL10446223 0.93 ALDH1A1 (0.54) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL11863284 0.92 NPSR1 (0.62) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL10225886 0.92 MAPT (0.71) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL10446457 0.92 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL29116440 0.90 LMNA (0.66) ALDH1A1CYP3A4MEN1KMT2APOLB
SCHEMBL11514046 0.90 SRD5A2 (0.53) ALDH1A1CYP3A4MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 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 (3 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-20110049477-A1 ELECTROACTIVE MATERIALS KCNN4, KCNN3, HCN3 ALDH1A1 3655/4885CYP3A4 1941/4885MEN1 1443/4885
US-20170338423-A9 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ALDH1A1 3134/4885CYP3A4 804/4885MEN1 2183/4885
US-20120074396-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ALDH1A1 3134/4885CYP3A4 804/4885MEN1 2183/4885

“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.