SCHEMBL927846

SCHEMBL927846

C/C(=C/C(=O)Oc1cccc(Oc2cccc(O)c2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
AKR1C3 P42330 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL927847 0.82 CYP3A4 (0.62) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL927845 0.82 CYP3A4 (0.62) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL28171294 0.78 AKR1C3 (0.48) KMT2AKDM4EALDH1A1HSD17B10LMNA
SCHEMBL928696 0.77 ESR1 (0.47) ESR1ESR2MEN1KMT2A
SCHEMBL5143789 0.74 CYP3A4 (0.55) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29719326 0.74 CYP3A4 (0.55) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3182473 0.74 CYP3A4 (0.55) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4647740 0.73 CYP3A4 (0.67) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL11296673 0.73 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBKDM4E
SCHEMBL689595 0.72 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1

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-8222446-B2 Method for producing dihydroxybenzene derivative MITSUI CHEMICALS, INC. (JP) 2012-07-17 US disclosed
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2011-01-06 US disclosed
EP-2269976-A1 PROCESS FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2011-01-05 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-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE UBE2B, UBE2G2, TUBB2B CYP3A4 227/4885ESR1 742/4885ESR2 588/4885

“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.