SCHEMBL928044

SCHEMBL928044

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LTA4H P09960 4/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
PCNA P12004 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 3/20 0.44
PARP10 Q53GL7 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALB P02768 1/20 0.41
FFAR4 Q5NUL3 2/20 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
SCHEMBL926957 0.98 KMT2A (0.50) KMT2AMEN1ESR1ESR2LTA4H
SCHEMBL927682 0.98 KMT2A (0.50) KMT2AMEN1ESR1ESR2LTA4H
SCHEMBL8521336 0.95 KMT2A (0.56) KMT2AESR1PCNAALDH1A1LMNA
SCHEMBL27705663 0.93 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27686592 0.93 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27465956 0.93 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL9511238 0.89 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL689043 0.88 KMT2A (0.63) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL5075613 0.88 KMT2A (0.63) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL689052 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAMAPT

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.