SCHEMBL17129796

SCHEMBL17129796

Cc1ccc2c(c1)-c1cc(C#N)ccc1-c1ccc(C#N)cc1-c1cc(C)ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
CYP2A6 P11509 1/20 0.56
AR P10275 2/20 0.42
USP8 P40818 1/20 0.42
USP7 Q93009 1/20 0.42
CASP3 P42574 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
ELANE P08246 1/20 0.38
EGLN2 Q96KS0 3/20 0.37
ITK Q08881 1/20 0.37
GRM2 Q14416 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL12902490 0.86 CASP3 (0.44) ALDH1A1CYP2A6CASP3
SCHEMBL18934331 0.85 ALDH1A1 (0.54) ALDH1A1CYP2A6ARUSP8USP7
SCHEMBL20616733 0.81 ALDH1A1 (0.46) ALDH1A1CYP2A6ARMAOAMAOB
SCHEMBL16175913 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6ARCASP3CSNK1A1
SCHEMBL17589591 0.79 ALDH1A1 (0.47) ALDH1A1CYP2A6ARUSP8USP7
SCHEMBL1134706 0.78 MAOA (0.55) ALDH1A1CYP2A6MAOAMAOBELANE
SCHEMBL1134729 0.78 MAOA (0.55) ALDH1A1CYP2A6MAOAMAOBELANE
SCHEMBL12727213 0.77 ALDH1A1 (0.45) ALDH1A1CYP2A6ARUSP8USP7
SCHEMBL21021106 0.77 EGLN2 (0.47) ALDH1A1CYP2A6ARUSP8USP7
SCHEMBL17129792 0.76 ALDH1A1 (0.48) ALDH1A1CYP2A6ARUSP8USP7

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-9328097-B2 Thermally activated delayed fluorescence material, a method of synthesizing the same and an OLED device using the same SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2016-05-03 US disclosed
US-20150280138-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, A METHOD OF SYNTHESIZING THE SAME AND AN OLED DEVICE USING THE SAME SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2015-10-01 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-20150280138-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, A METHOD OF SYNTHESIZING THE SAME AND AN OLED DEVICE USING THE SAME OCIAD1, OCIAD2, NOM1 ALDH1A1 414/4885CYP2A6 3806/4885AR 108/4885

“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.