SCHEMBL6765883

SCHEMBL6765883

CCOC(=O)C1Nc2cc(Cl)cc(Cl)c2C(c2ccc(OC)c(OC)c2)C1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL6765763 0.88 ALDH1A1 (0.44) GAAKDM4EALDH1A1
SCHEMBL6766158 0.86
SCHEMBL6769515 0.85 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7491517 0.85 GAA (0.40) GAAPDE4BPDE4DPDE4APDE4C
SCHEMBL6766668 0.78 ALDH1A1 (0.44) GAAKDM4EALDH1A1
SCHEMBL6766686 0.75 ALDH1A1 (0.48) ALDH1A1
SCHEMBL6952696 0.71 KDM4E (0.33) GAAKDM4EALDH1A1
SCHEMBL6241998 0.69
SCHEMBL6951562 0.69 CYP2C9 (0.37)
SCHEMBL6211966 0.68 MEN1 (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C GAA 1112/4885PDE4B 410/4885PDE4D 530/4885

“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.