SCHEMBL929322

SCHEMBL929322

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
POLB P06746 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 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
SCHEMBL689601 0.82 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBKDM4E
SCHEMBL689199 0.80 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBKDM4E
SCHEMBL528298 0.78 CYP19A1 (0.46) ERCC5FEN1ALDH1A1KMT2AHSD17B10
SCHEMBL929239 0.78 KMT2A (0.45) ESR1ESR2ERCC5FEN1KDM4E
SCHEMBL928867 0.76 CYP3A4 (0.47) CYP3A4ESR1ESR2POLB
SCHEMBL927349 0.75 CYP3A4 (0.46) CYP3A4
SCHEMBL927430 0.75 CYP3A4 (0.46) CYP3A4
SCHEMBL927194 0.75 CYP3A4 (0.46) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4647741 0.74 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBALDH1A1
SCHEMBL27686630 0.74 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBKDM4E

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.