SCHEMBL18758907

SCHEMBL18758907

CC/N=C(\Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES1 P23141 4/20 0.39
CES2 O00748 3/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 3/20 0.37
TRPA1 O75762 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7839283 0.83 ATM (0.42) ATMALDH1A1HIF1ACYP1A2CYP2D6
SCHEMBL11384671 0.83 ATM (0.42) ATMALDH1A1HIF1ACYP1A2CYP2D6
SCHEMBL7455552 0.81 GRIN2B (0.41) ATMALDH1A1HIF1ACYP1A2CYP2D6
SCHEMBL7455546 0.81 GRIN2B (0.41) ATMALDH1A1HIF1ACYP1A2CYP2D6
SCHEMBL9130947 0.80 CYP3A4 (0.43) ATMALDH1A1CES1CES2SMN1; SMN2
SCHEMBL9130951 0.80 CYP3A4 (0.43) ATMALDH1A1CES1CES2SMN1; SMN2
SCHEMBL4838301 0.78 CES2 (0.43) ATMALDH1A1CES1CES2MEN1
SCHEMBL4838305 0.78 CES2 (0.43) ATMALDH1A1CES1CES2MEN1
SCHEMBL24060203 0.77 ATM (0.68) ATMALDH1A1CYP1A2CYP2D6HSD17B10
SCHEMBL7455051 0.77 HTR3A (0.41) ATMALDH1A1HIF1ACYP1A2CYP2D6

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-9735377-B2 Phosphorescent emitters and host materials with improved stability UNIVERSAL DISPLAY CORPORATION (US) 2017-08-15 US disclosed
US-20170110676-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION 2017-04-20 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-20170110676-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY NUDC, TEC, MAP1LC3C ATM 4034/4885ALDH1A1 1636/4885HIF1A 4717/4885

“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.