SCHEMBL6766686

SCHEMBL6766686

CCOC(=O)C1Nc2cc(Cl)cc(Cl)c2C(c2ccc(OC)cc2)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6766668 0.96 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHR
SCHEMBL6765763 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHR
SCHEMBL6950793 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APOLBFABP7
SCHEMBL6769515 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7488178 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHR
SCHEMBL6765883 0.75 GAA (0.45) ALDH1A1
SCHEMBL6241998 0.74
SCHEMBL6769669 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL6215421 0.73
SCHEMBL6213026 0.72 KDM4E (0.39)

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 ALDH1A1 454/4885MEN1 416/4885KMT2A 1398/4885

“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.