SCHEMBL927845

SCHEMBL927845

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
FASN P49327 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35

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 1.00 CYP3A4 (0.62) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL927846 0.82 CYP3A4 (0.55) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL28217761 0.81 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL29373239 0.81 ELANE (0.45) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL21409621 0.81 ELANE (0.45) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL4928156 0.81 CYP3A4 (0.72) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL928695 0.80 ELANE (0.42) ESR1ESR2LMNABCHEMEN1
SCHEMBL928697 0.80 ELANE (0.42) ESR1ESR2LMNABCHEMEN1
SCHEMBL12058543 0.78 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBLMNA
SCHEMBL31097939 0.78 CYP3A4 (0.68) CYP3A4ESR1ESR2POLBLMNA

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 4 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
US-7491840-B2 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2009-02-17 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-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.