SCHEMBL16645300

SCHEMBL16645300

C=CCc1cc(OCCCC)c(OCCCC)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
PPARA Q07869 3/20 0.45
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CNR1 P21554 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTPN11 Q06124 2/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 1/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL16632772 0.76 FOLH1 (0.51) MAPTALDH1A1KDM4EPTPN1MEN1
SCHEMBL11735828 0.76 PTGS1 (0.50) MAPTPPARAALDH1A1KDM4EMEN1
SCHEMBL17831977 0.76 ALDH1A1 (0.51) MAPTPPARACNR2ALDH1A1MEN1
SCHEMBL16645304 0.75 CNR2 (0.43) MAPTCNR2ALDH1A1KDM4ETHRA
SCHEMBL15613417 0.73 S1PR3 (0.62) CNR2ALDH1A1KDM4ETHRATHRB
SCHEMBL11928959 0.73 TP53 (0.47) CNR2THRATHRBPTPN11PTPN1
SCHEMBL9700149 0.72 PLA2G2A (0.59) PTPN11PTPN1PTPN6S1PR3TP53
SCHEMBL30374450 0.71 TNKS (0.58) MAPTPPARAALDH1A1MEN1KMT2A
SCHEMBL10627084 0.71 TNKS (0.58) MAPTPPARAALDH1A1MEN1KMT2A
SCHEMBL29102206 0.71 CNR2 (0.65) MAPTPPARACNR2ALDH1A1KDM4E

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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF BTD, VIP, SLC10A2 MAPT 3311/4885PPARA 4489/4885CNR2 4047/4885

“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.