SCHEMBL3668855

SCHEMBL3668855

C/C=C/COc1oc2ccc(I)cc2c(=O)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.33
LTB4R Q15722 2/20 0.33
CYP2C9 P11712 2/20 0.30
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
HSD17B3 P37058 1/20 0.30

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
SCHEMBL3668856 1.00 APP (0.33) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL344030 0.86 CYP2A6 (0.37) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL343039 0.86 KDM4E (0.37) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL29451185 0.84 APP (0.39) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL69420 0.84 APP (0.39) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL483576 0.83 LTB4R (0.41) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL6030100 0.83 GABRA1 (0.34) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL747965 0.82 APP (0.33) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL6029914 0.82 APP (0.43) APPCYP2C9KDM4ENPC1ALDH1A1
SCHEMBL344549 0.80 APP (0.33) APPLTB4RCYP2C9KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105670-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-29 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-20100105670-A1 FUNGICIDAL MIXTURES DEGS1, GMDS, Q6ZSR9 APP 4627/4885LTB4R 1199/4885CYP2C9 48/4885

“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.