SCHEMBL2720022

SCHEMBL2720022

CCCCCc1cc(C2CCC(c3ccc(O)cc3)CC2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
TYR P14679 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX5 P09917 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SPHK1 Q9NYA1 6/20 0.47
ESR2 Q92731 4/20 0.46
ESR1 P03372 3/20 0.44
CYP2C9 P11712 1/20 0.44
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42

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
SCHEMBL2718788 0.99 TP53 (0.51) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL2718706 0.99 TP53 (0.51) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL2721546 0.99 TP53 (0.51) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL2717618 0.96 TYR (0.49) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL10866678 0.94 SPHK1 (0.48) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL2720383 0.90 ESR2 (0.50) CYP3A4ALOX5ESR2ESR1CYP2C9
SCHEMBL7737889 0.86 ACMSD (0.46) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL4216531 0.83 TYR (0.47) CYP3A4TYRTP53MEN1ALOX5
SCHEMBL2721166 0.83 ESR2 (0.53) CYP3A4ESR2ESR1CYP2C9
SCHEMBL18403459 0.83 ALOX5 (0.45) CYP3A4ALOX5SPHK1ESR2ESR1

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
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 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-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 CYP3A4 318/4885TYR 1415/4885TP53 4049/4885

“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.