SCHEMBL6769669

SCHEMBL6769669

CCOC(=O)C1Nc2c(Cl)cc(F)cc2C(c2ccc(OC)cc2)C1c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6769378 0.87 EDNRA (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL6766668 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL6766686 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL6765763 0.68 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL6769977 0.67 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL23342379 0.66 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL23342994 0.66 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL8683478 0.64 EDNRA (0.67) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL23020636 0.63 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL7488178 0.63 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRGAA

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.