SCHEMBL4150417

SCHEMBL4150417

O=C(c1ccccc1)c1ccc(-c2c(F)c(F)cc(F)c2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CNR2 P34972 5/20 0.49
CNR1 P21554 3/20 0.49
TTR P02766 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
NPC1 O15118 4/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL26568282 0.79 RAB9A (0.49) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL28133754 0.79 PDE4A (0.44) MEN1KMT2AMAPTALDH1A1CNR2
SCHEMBL3974706 0.79 ALDH1A1 (0.61) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL2139894 0.78 LMNA (0.42) LMNAMAPTALDH1A1TTRHSD17B1
SCHEMBL13019488 0.76 RAB9A (0.82) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL197633 0.76 RAB9A (0.82) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL18181713 0.76 CA1 (0.35) TTRCA12CA1CA2
SCHEMBL7937415 0.75 LMNA (0.67) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL10513615 0.75 LMNA (0.67) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL133482 0.74 RAB9A (0.72) RAB9AMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH RAB9A 2726/4885MEN1 3558/4885KMT2A 2525/4885

“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.