SCHEMBL17129792

SCHEMBL17129792

Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C#N)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP2A6 P11509 1/20 0.48
PDK2 Q15119 3/20 0.44
AR P10275 2/20 0.38
MALT1 Q9UDY8 1/20 0.38
ALK Q9UM73 7/20 0.37
KDM1A O60341 1/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
ITK Q08881 1/20 0.34

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
SCHEMBL18907177 0.92 PDK2 (0.52) ALDH1A1CYP2A6PDK2ARMALT1
SCHEMBL13074415 0.88 PDK2 (0.51) ALDH1A1CYP2A6PDK2MALT1KDM1A
SCHEMBL31025678 0.88 PDK2 (0.51) ALDH1A1CYP2A6PDK2MALT1KDM1A
SCHEMBL18907195 0.87 ALDH1A1 (0.47) ALDH1A1CYP2A6PDK2MALT1ALK
SCHEMBL18907228 0.87 PDK2 (0.44) ALDH1A1CYP2A6PDK2ARMALT1
SCHEMBL30882466 0.86 PDK2 (0.45) ALDH1A1CYP2A6PDK2ARMALT1
SCHEMBL15728990 0.82 ALDH1A1 (0.43) ALDH1A1CYP2A6PDK2ARMALT1
SCHEMBL19286810 0.82 PDK2 (0.47) ALDH1A1CYP2A6PDK2
SCHEMBL26224741 0.81 PDK2 (0.40) ALDH1A1CYP2A6PDK2ALK
SCHEMBL23624452 0.80 ALDH1A1 (0.42) ALDH1A1CYP2A6PDK2ALK

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 3806/4885PDK2 3164/4885

“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.