SCHEMBL16632772

SCHEMBL16632772

C=CCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.51
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 2/20 0.44
PTGER1 P34995 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
PTPN1 P18031 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5839199 0.78 FOLH1 (0.56) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL16655793 0.77 PPARA (0.51) FOLH1
SCHEMBL16645300 0.76 MAPT (0.47) ALDH1A1KDM4EMEN1KMT2APTPN1
SCHEMBL487915 0.76 FOLH1 (0.48) FOLH1KDM4EMCL1PTGER1NPC1
SCHEMBL19490990 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL28281498 0.76 PTGER1 (0.53) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL16632850 0.75 KDM4E (0.52) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL16632852 0.75 KDM4E (0.52) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL645460 0.75 MEN1 (0.50) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL9756730 0.75 FOLH1 (0.49) FOLH1ALDH1A1L3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902986-B2 Enterobactin conjugates and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-27 US disclosed
US-9902986-B2 Enterobactin conjugates and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-27 US disclosed
US-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 US disclosed
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 FOLH1 1492/4885ALDH1A1 2901/4885L3MBTL1 1470/4885

“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.