SCHEMBL16645304

SCHEMBL16645304

C/C=C/c1cc(OCCCC)c(OCCCC)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.40
AKR1C3 P42330 1/20 0.40
PTPN11 Q06124 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 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
SCHEMBL15613417 0.77 S1PR3 (0.62) CNR2ALDH1A1KDM4ES1PR3SMN1; SMN2
SCHEMBL16632852 0.76 KDM4E (0.52) ALDH1A1KDM4EPOLBLMNAL3MBTL1
SCHEMBL16632850 0.76 KDM4E (0.52) ALDH1A1KDM4EPOLBLMNAL3MBTL1
SCHEMBL16645300 0.75 MAPT (0.47) CNR2ALDH1A1KDM4ES1PR3MAPT
SCHEMBL11928959 0.74 TP53 (0.47) CNR2S1PR3PTPN11TP53THRA
SCHEMBL9700149 0.73 PLA2G2A (0.59) S1PR3PTPN11TP53
SCHEMBL2622578 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL11929251 0.71 THRA (0.49) CNR2S1PR3PTPN11TP53THRA
SCHEMBL29445661 0.71 SMN1; SMN2 (0.42) ALDH1A1S1PR3SMN1; SMN2HPGDPOLB
SCHEMBL29391954 0.71 SMN1; SMN2 (0.42) ALDH1A1S1PR3SMN1; SMN2HPGDPOLB

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 CNR2 4047/4885ALDH1A1 2901/4885KDM4E 3816/4885

“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.