SCHEMBL927430

SCHEMBL927430

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CNR2 P34972 2/20 0.44
CNR1 P21554 2/20 0.44
FFAR1 O14842 5/20 0.44
FFAR4 Q5NUL3 4/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
VCAM1 P19320 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
SCHEMBL927349 1.00 CYP3A4 (0.46) CYP3A4CNR2CNR1FFAR1FFAR4
SCHEMBL928867 0.99 CYP3A4 (0.47) CYP3A4CNR2CNR1FFAR1FFAR4
SCHEMBL3166149 0.94 CYP3A4 (0.51) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL17200765 0.94 CYP3A4 (0.51) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL27705782 0.93 CYP3A4 (0.53) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL2845775 0.90 CYP3A4 (0.53) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL809344 0.88 CYP3A4 (0.58) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL689630 0.88 CYP3A4 (0.58) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL688275 0.88 CYP3A4 (0.58) CYP3A4CNR2CNR1PRSS1PRSS2
SCHEMBL689823 0.87 CYP3A4 (0.59) CYP3A4CNR2CNR1PRSS1PRSS2

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 227/4885CNR2 1610/4885CNR1 2409/4885

“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.