SCHEMBL6844622

SCHEMBL6844622

Cc1ccc(CC#Cc2ccc3cc(O)c(Cc4ccccc4)c(O)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP13 P45452 8/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.36
NQO1 P15559 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL6210457 1.00 KDM4E (0.40) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL6212049 0.93 MMP13 (0.42) KDM4EALDH1A1MMP13FFAR1FFAR4
SCHEMBL6196076 0.89 MMP13 (0.38) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6214652 0.89 LMNA (0.40) ALDH1A1MEN1POLBKMT2AMMP13
SCHEMBL6212399 0.89 MMP13 (0.47) ALDH1A1MMP13FFAR1FFAR4SLC22A8
SCHEMBL6194626 0.89 VKORC1 (0.39) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6212328 0.89 VKORC1 (0.39) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6212222 0.89 MMP13 (0.47) ALDH1A1MMP13FFAR1FFAR4SLC22A8
SCHEMBL6212289 0.89 MMP13 (0.38) MMP13FFAR1FFAR4SLC22A8
SCHEMBL6214266 0.89 LMNA (0.40) ALDH1A1MEN1POLBKMT2AMMP13

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 KDM4E 1987/4885ALDH1A1 1588/4885MEN1 2172/4885

“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.