SCHEMBL17427082

SCHEMBL17427082

Cc1cc(-c2cccc3ccccc23)cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA1 P30542 3/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CRHR1 P34998 2/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL17427072 0.84 LMNA (0.44) MAPTL3MBTL1LMNAENPP3ENPP1
SCHEMBL16805025 0.81 ENPP3 (0.49) LMNAENPP3ENPP1KMT2AKDM4E
SCHEMBL25774989 0.79 ENPP3 (0.50) ADORA2AADORA1MAPTL3MBTL1LMNA
SCHEMBL17427079 0.78 ENPP3 (0.41) MAPTL3MBTL1LMNAENPP3ENPP1
SCHEMBL2010178 0.75 CA12 (0.50) MAPTL3MBTL1ENPP3ENPP1KDM4E
SCHEMBL29866205 0.75 CA12 (0.50) MAPTL3MBTL1ENPP3ENPP1KDM4E
SCHEMBL25068056 0.75 ENPP1 (0.54) MAPTL3MBTL1ENPP3ENPP1KMT2A
SCHEMBL16805037 0.75 PIM1 (0.52) MAPTENPP3ENPP1KDM4ECYP1A2
SCHEMBL16805020 0.75 TDO2 (0.49) MAPTLMNAENPP3ENPP1KDM4E
SCHEMBL838870 0.74 ENPP3 (0.47) ENPP3ENPP1KDM4ECYP1A2FNTA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 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-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME OXER1, AOX1, CYP1A1 ADORA2A 1362/4885ADORA1 443/4885MAPT 2522/4885

“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.