SCHEMBL927004

SCHEMBL927004

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA6 P23280 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL9559199 0.81 CYP1A2 (0.56) CYP3A4ESR1ESR2ALDH1A1LMNA
SCHEMBL11322441 0.81 CYP1A2 (0.53)
SCHEMBL1933913 0.81 CYP1A2 (0.53)
SCHEMBL2167153 0.79 CYP1A2 (0.52)
SCHEMBL926799 0.79 LDHA (0.47) CA12CA2CA9CA1CA6
SCHEMBL10962952 0.77 CYP3A4 (0.53) CYP3A4CA12CA2CA9CA1
SCHEMBL13070034 0.75 CYP3A4 (0.49) CYP3A4ESR1ESR2ALDH1A1CHRNB4
SCHEMBL872503 0.75 CYP3A4 (0.52) CYP3A4CA12CA2CA9ESR1
SCHEMBL8697795 0.75 CYP3A4 (0.57) CYP3A4CA12CA2CA9ESR1
SCHEMBL31281184 0.75 CYP3A4 (0.74) CYP3A4CA12CA2CA9CA1

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 227/4885CA12 172/4885CA2 352/4885

“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.