SCHEMBL6838252

SCHEMBL6838252

CN(C)c1ccc(COC(=O)c2ccc3ccc(C(O)c4ccc(C(=O)O)cc4)cc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 3/20 0.47
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL6843419 0.88 RXRA (0.43) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL6194312 0.87 MAPT (0.50) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL6198198 0.86 NPC1 (0.50) ALDH1A1MAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6843115 0.86 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MAPK1TSHR
SCHEMBL6844741 0.86 NR4A2 (0.46) ALDH1A1MAPTNPC1SMN1; SMN2GAA
SCHEMBL6845387 0.86 RXRA (0.46) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL6844635 0.86 RXRA (0.46) ALDH1A1MAPTHPGDNPC1KDM4E
SCHEMBL6843051 0.86 MAPT (0.49) ALDH1A1MAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6843386 0.84 CA1 (0.41) ALDH1A1MAPTNPC1SMN1; SMN2TSHR
SCHEMBL6845362 0.83 CA1 (0.42) ALDH1A1MAPTNPC1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 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-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 ALDH1A1 1588/4885MAPT 1745/4885HPGD 156/4885

“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.