SCHEMBL6610445

SCHEMBL6610445

Cc1c(C)c(C(=O)O)c(C)c2c1OCCO2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.31
LMNA P02545 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
SCHEMBL842692 0.75 NOTUM (0.42) KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28831331 0.72 NOTUM (0.40) KDM4EALDH1A1CYP1A2
SCHEMBL1498069 0.72 NOTUM (0.40) KDM4EALDH1A1CYP1A2
SCHEMBL599331 0.72 LDHA (0.44) ALDH1A1CYP1A2
SCHEMBL6610449 0.71 KDM4E (0.34) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1060726 0.70 NOTUM (0.39) KDM4EALDH1A1CYP1A2
SCHEMBL6916335 0.70 LDHA (0.43) ALDH1A1CYP1A2
SCHEMBL1234975 0.70 LDHA (0.43) ALDH1A1CYP1A2
SCHEMBL6918114 0.70 LDHA (0.43) ALDH1A1CYP1A2
SCHEMBL6916630 0.70 LDHA (0.43) ALDH1A1CYP1A2

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-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP disclosed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 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-20040248958-A1 Heterocyclic amide derivatives DDT, CYP2E1, CYP1A1 HTT 2450/4885KDM4E 1089/4885ALDH1A1 116/4885

“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.