SCHEMBL19900752

SCHEMBL19900752

COc1cc(C(=O)OCC(=O)O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.72
KDM4E B2RXH2 1/20 0.68
POLB P06746 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HTT P42858 1/20 0.63
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
RAB9A P51151 1/20 0.60
TSHR P16473 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54

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
SCHEMBL30114999 1.00 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL1356516 0.85 KDM4E (0.85) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL12137171 0.85 HSD17B2 (0.79) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL155638 0.84 HSD17B2 (1.00) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL1354950 0.83 HDAC6 (0.91) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL1354918 0.83 HDAC6 (0.97) HSD17B2KDM4EPOLBHDAC6HTT
Vanillic Acid SCHEMBL431677 0.82 HSD17B2 (0.88) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL25421686 0.81 KDM4E (0.78) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL1354864 0.81 HDAC6 (1.00) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL1353426 0.81 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6HTT

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
US-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-06-29 US disclosed
EP-3503727-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES Kittrich Corporation (US) 2019-07-03 EP disclosed
WO-2018039390-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES KITTRICH CORPORATION (US) 2018-03-01 WO 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-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES DDT, CYP4B1, GSTO1 HSD17B2 78/4885KDM4E 1496/4885POLB 4046/4885

“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.