SCHEMBL21922080

SCHEMBL21922080

CC1(C)c2ccccc2N(c2ccccc2-c2ccccc2-c2ncccc2C#N)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.37
PGR P06401 3/20 0.35
PDE4B Q07343 1/20 0.34
KMT2A Q03164 4/20 0.34
PDK2 Q15119 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCQ Q04759 1/20 0.33
CA1 P00915 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
SCHEMBL21927300 0.95 ALDH1A1 (0.39) HTTALDH1A1HSD17B10ARPGR
SCHEMBL21929627 0.88 ALDH1A1 (0.44) HTTALDH1A1HSD17B10ARPGR
SCHEMBL21927991 0.85 ALDH1A1 (0.42) HTTALDH1A1HSD17B10ARPGR
SCHEMBL21922081 0.84 KMT2A (0.35) HTTALDH1A1HSD17B10ARPGR
SCHEMBL21927997 0.83 AR (0.42) HTTALDH1A1HSD17B10ARPGR
SCHEMBL17954899 0.83 PGR (0.42) HTTPGRKMT2APDK2CYP1A2
SCHEMBL21927286 0.82 ALDH1A1 (0.36) HTTALDH1A1HSD17B10PDE4BCNR2
SCHEMBL21927295 0.82 HTT (0.35) HTTALDH1A1HSD17B10ARPGR
SCHEMBL21927270 0.81 ALDH1A1 (0.40) HTTALDH1A1HSD17B10PDE4BCNR2
SCHEMBL21929615 0.80 KMT2A (0.38) HTTALDH1A1HSD17B10PDE4BKMT2A

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 US disclosed
EP-3644385-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-29 EP 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 HTT 2197/4885ALDH1A1 511/4885HSD17B10 3516/4885

“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.