SCHEMBL929239

SCHEMBL929239

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LTA4H P09960 5/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
PARP10 Q53GL7 1/20 0.42
MAPT P10636 2/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL689834 0.81 KMT2A (0.43) KMT2AMEN1ESR1ESR2PARP10
SCHEMBL528298 0.81 CYP19A1 (0.46) KMT2AMAPTELANEALDH1A1LMNA
SCHEMBL689763 0.78 KMT2A (0.54) KMT2AMEN1ESR1ESR2PARP10
SCHEMBL929322 0.78 CYP3A4 (0.46) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL7190278 0.77 MAPT (0.48) KMT2AMEN1ESR1ESR2LTA4H
SCHEMBL27998181 0.75 LTA4H (0.54) KMT2ALTA4HNR1H2BAXMAPT
SCHEMBL8924644 0.73 ESR1 (0.64) KMT2AMEN1ESR1ESR2LTA4H
SCHEMBL928044 0.72 KMT2A (0.51) KMT2AMEN1ESR1ESR2LTA4H
Butane SCHEMBL1043355 0.71 KMT2A (0.47) KMT2AESR1LTA4HNR1H2MAPT
SCHEMBL27686559 0.71 GAA (0.39) KMT2AMEN1ESR1ESR2LTA4H

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

“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.