SCHEMBL20160592

SCHEMBL20160592

CC1(C)c2ccccc2-c2c3c1cccc3cc1[nH]c3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAP3K9 P80192 1/20 0.38
MAP3K11 Q16584 1/20 0.38
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
CHEK1 O14757 4/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
WEE1 P30291 3/20 0.34
TYMS P04818 1/20 0.33
MEN1 O00255 1/20 0.33
PRKD3 O94806 1/20 0.33
CCNB2 O95067 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
SCHEMBL20152834 0.83 BCHE (0.39) PARP1MAP3K9MAP3K11CLK1DYRK1A
SCHEMBL20438138 0.82 PARP1 (0.45) PARP1KDM4ELMNAHTTMAP3K9
SCHEMBL17484091 0.79 PARP1 (0.50) PARP1KDM4ELMNAHTTIMPDH2
SCHEMBL29438556 0.79 PARP1 (0.50) PARP1KDM4ELMNAHTTIMPDH2
SCHEMBL15940475 0.77 PARP1 (0.39) PARP1KDM4ELMNAHTTMAP3K9
SCHEMBL20437690 0.76 AHR (0.44) KDM4ELMNAHTTGSK3BADK
SCHEMBL22920764 0.76 PARP1 (0.40) PARP1KDM4ELMNAHTTIMPDH2
SCHEMBL20437694 0.76 AHR (0.44) KDM4ELMNAHTTMEN1MAPT
SCHEMBL25972793 0.76 PARP1 (0.39) PARP1KDM4ELMNAHTTIMPDH2
SCHEMBL24519182 0.75 KDR (0.42) PARP1KDM4ELMNAHTTCHEK1

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-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 PARP1 1061/4885KDM4E 1570/4885LMNA 2374/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 PARP1 1061/4885KDM4E 1570/4885LMNA 2374/4885

“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.