SCHEMBL928696

SCHEMBL928696

C/C(=C/C(=O)Oc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
LTA4H P09960 5/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
ELANE P08246 3/20 0.44
PARP10 Q53GL7 1/20 0.43
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 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
SCHEMBL928697 0.81 ELANE (0.42) ESR1MEN1KMT2AESR2ELANE
SCHEMBL928695 0.81 ELANE (0.42) ESR1MEN1KMT2AESR2ELANE
SCHEMBL28171294 0.80 AKR1C3 (0.48) KMT2AELANEMAPTHPGD
SCHEMBL20348446 0.79 CYP19A1 (0.41) KMT2AELANEPARP10MAPT
SCHEMBL927846 0.77 CYP3A4 (0.55) ESR1MEN1KMT2AESR2
SCHEMBL181396 0.76 MEN1 (0.61) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL8924644 0.74 ESR1 (0.64) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL2581335 0.72 AKR1C3 (0.38) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL219559 0.72 AKR1C3 (0.38) ESR1MEN1KMT2AESR2LTA4H
Mequinol SCHEMBL3120838 0.70 ESR2 (0.53) MEN1KMT2AESR2LTA4HMAPT

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 ESR1 742/4885MEN1 4103/4885KMT2A 1007/4885

“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.