SCHEMBL6766435

SCHEMBL6766435

CCOC(=O)C1CC(c2ccccc2OC)c2cc(Cl)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
DHFR P00374 1/20 0.44
FDFT1 P37268 2/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6770097 0.89 CA1 (0.42) MEN1ALDH1A1KMT2APOLBCA1
SCHEMBL6766521 0.89 TSHR (0.46) MEN1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL6771998 0.87 FDFT1 (0.40) MEN1ALDH1A1KMT2AFDFT1POLB
SCHEMBL6770228 0.85 MEN1 (0.42) MEN1ALDH1A1CYP2C19KMT2ATP53
SCHEMBL6950779 0.84 FDFT1 (0.41) MEN1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL6769878 0.83 MEN1 (0.41) MEN1ALDH1A1KMT2APOLBHTT
SCHEMBL6767380 0.81 TSHR (0.44) MAPT
SCHEMBL6766316 0.80 MAPK1 (0.38) MEN1ALDH1A1KMT2APOLBMAPT
SCHEMBL6770849 0.79 MEN1 (0.44) MEN1ALDH1A1KMT2APOLBHTT
SCHEMBL6770762 0.79 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A

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 MEN1 416/4885ALDH1A1 454/4885CYP2C9 69/4885

“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.