SCHEMBL4142008

SCHEMBL4142008

C=C(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
CES1 P23141 3/20 0.35
CES2 O00748 2/20 0.35
ALDH1A1 P00352 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL22909456 0.77 MEN1 (0.41) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7930063 0.76 MEN1 (0.61) MEN1KMT2AMAPK1HTTLMNA
SCHEMBL26736 0.76 MEN1 (0.61) MEN1KMT2AMAPK1HTTLMNA
SCHEMBL3844822 0.76 MEN1 (0.61) MEN1KMT2AMAPK1HTTLMNA
Benzene SCHEMBL9731493 0.76 MEN1 (0.61) MEN1KMT2AMAPK1HTTLMNA
Benzene SCHEMBL28340939 0.76 MEN1 (0.61) MEN1KMT2AMAPK1HTTLMNA
SCHEMBL25416684 0.76 MEN1 (0.38) MEN1KMT2AGAAHTTLMNA
SCHEMBL5053938 0.75 MEN1 (0.45) MEN1KMT2AMAPK1HTTLMNA
Hydrochloric Acid SCHEMBL10598447 0.73 KMT2A (0.58) MEN1KMT2AHTTLMNATSHR
SCHEMBL8210944 0.73 MEN1 (0.58) MEN1KMT2AMAPK1HTTLMNA

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 2 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-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 MEN1 3558/4885KMT2A 2525/4885GAA 683/4885

“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.