SCHEMBL10279526

SCHEMBL10279526

CCCC(O)(C#Cc1cccc([C@@H](O)[C@@H](C)CN2C(=O)c3ccccc3C2=O)c1)CCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 2/20 0.34
TNF P01375 1/20 0.34
DRD3 P35462 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
THRB P10828 1/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL614885 0.85 KMT2A (0.33) KMT2AALDH1A1TNFMMP2MMP9
SCHEMBL236129 0.80 ADRB1 (0.32)
SCHEMBL234138 0.80 ADRB1 (0.32)
SCHEMBL613334 0.78 KMT2A (0.38) KMT2AALDH1A1MAPK1MEN1THRB
SCHEMBL2209288 0.74 ADRB1 (0.48) KMT2AALDH1A1DRD3MAPK1MEN1
SCHEMBL17024423 0.74 ADRB1 (0.48) KMT2AALDH1A1DRD3MAPK1MEN1
SCHEMBL232836 0.74 POLB (0.31) POLB
SCHEMBL611891 0.74 HPGD (0.38) KMT2AALDH1A1MMP2MMP9MAPK1
SCHEMBL15461598 0.72 RIPK1 (0.36) KMT2AALDH1A1DRD3MAPK1MEN1
SCHEMBL237579 0.71 PNMT (0.43) KMT2AMAPK1MEN1THRBPOLB

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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KMT2A 1037/4885ALDH1A1 641/4885TNF 4028/4885

“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.