SCHEMBL4227451

SCHEMBL4227451

CCCCC(CC)Cc1cc(-c2ccc(-c3ccc(O)cc3)cc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.44
HSD17B1 P14061 2/20 0.40
ALOX5 P09917 3/20 0.40
TYR P14679 2/20 0.37
BDKRB2 P30411 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL11328765 0.88 TYR (0.45) ALOX5TYRLMNAALDH1A1ESR1
SCHEMBL2719229 0.87 MGLL (0.34) MGLLHSD17B1ALOX5TYRLMNA
SCHEMBL2717726 0.80 TYR (0.33) ALOX5TYRLMNAALDH1A1ESR1
SCHEMBL1776251 0.80 BDKRB2 (0.41) BDKRB2LMNAALDH1A1CYP3A4TSHR
SCHEMBL11039409 0.79 TYR (0.57) ALOX5TYRLMNAALDH1A1MEN1
SCHEMBL2721993 0.78 ESR2 (0.36) ESR2
SCHEMBL2720121 0.78
SCHEMBL2720815 0.77 STS (0.32) ALOX5TYRLMNAMEN1TP53
SCHEMBL11303500 0.77 TYR (0.58) MGLLHSD17B1ALOX5TYRLMNA
SCHEMBL2719865 0.77 TYR (0.58) MGLLHSD17B1ALOX5TYRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400665-A Method for producing epoxy compound SUMITOMO CHEMICAL CO (JP) 2009-04-01 CN disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 MGLL 4752/4885HSD17B1 64/4885ALOX5 609/4885

“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.