SCHEMBL16449704

SCHEMBL16449704

Cc1[nH]c(C)c2c1C(=O)CC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.38
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BAZ2A Q9UIF9 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
SCHEMBL16449706 0.67 MEN1 (0.31) MEN1ALPLMAPK1KMT2A
SCHEMBL9056340 0.67 KDM4E (0.36) BRD4MEN1ALPLMAPK1KMT2A
SCHEMBL15328628 0.63 BRD4 (0.56) BRD4MEN1ALPLMAPK1KMT2A
SCHEMBL5004730 0.60 MAPK1 (0.54) BRD4MEN1ALPLMAPK1KMT2A
SCHEMBL6256987 0.60 PGR (0.44) BRD4
SCHEMBL6262202 0.58 PGR (0.46) MEN1KMT2A
SCHEMBL17231977 0.58
SCHEMBL11332957 0.58 BRD4 (0.43) BRD4
SCHEMBL11625099 0.58 ALDH1A1 (0.31)
SCHEMBL18020453 0.57 GSK3A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369045-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF CORNING INC (US) 2016-12-22 US disclosed
US-20150065722-A1 FUSED THIOPHENE DITIN MONOMERS CORNING INCORPORATED 2015-03-05 US disclosed
US-20150045560-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF CORNING INCORPORATED 2015-02-12 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 (2 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-20150065722-A1 FUSED THIOPHENE DITIN MONOMERS TTL, THEM6, ITK BRD4 1730/4885MEN1 870/4885ALPL 3134/4885
US-20150045560-A1 NOVEL FUSED NAPHTHALENE CYCLOHETERO RING COMPOUNDS, AND METHODS AND USES THEREOF FDPS, PPOX, DHPS BRD4 1952/4885MEN1 2211/4885ALPL 3268/4885

“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.