SCHEMBL1491954

SCHEMBL1491954

O=C(NCCCl)c1ccccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.64
CHRNA4 P43681 3/20 0.64
CHRNB4 P30926 2/20 0.64
CHRNA3 P32297 2/20 0.64
PPARG P37231 1/20 0.57
HTT P42858 4/20 0.56
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL8841217 0.86 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3PPARG
SCHEMBL11994154 0.83 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3PPARG
SCHEMBL11007801 0.82 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3PPARG
SCHEMBL7217604 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3PPARG
SCHEMBL1649572 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3PPARG
SCHEMBL27451737 0.77 NPC1 (0.68) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1826396 0.77 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL30345390 0.77 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL28721159 0.77 BCAT2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL8979294 0.77 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3HTT

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 5 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
US-20140042413-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION (US) 2014-02-13 US disclosed
US-8586204-B2 Phosphorescent emitters and host materials with improved stability UNIVERSAL DISPLAY CORPORATION (US) 2013-11-19 US disclosed
US-20110057559-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION (US) 2011-03-10 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-20110057559-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY DDT, TPST2, NUDT1 CHRNB2 4226/4885CHRNA4 4520/4885CHRNB4 4349/4885
US-20170110676-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY NUDC, TEC, MAP1LC3C CHRNB2 3986/4885CHRNA4 3810/4885CHRNB4 4098/4885

“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.