SCHEMBL18907231

SCHEMBL18907231

c1ccc(-c2nc3c4ccccc4ccc3c3c2ccc2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.41
ADORA2A P29274 1/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HPRT1 P00492 1/20 0.40
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 3/20 0.38

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
SCHEMBL22606886 0.85 ESR1 (0.46) NUDT1ADORA2AMAPTL3MBTL1HPGD
SCHEMBL17034863 0.84 NUDT1 (0.50) NUDT1ADORA2AMAPTL3MBTL1HPGD
SCHEMBL22606929 0.83 ESR1 (0.44) MAPTHPGDRAB9ACYP3A4ALDH1A1
SCHEMBL18842650 0.83 IDO1 (0.41) MAOAMAPTL3MBTL1HPGDTSHR
SCHEMBL18907357 0.83 CYP1A2 (0.38) NUDT1ADORA2AMAOAMAPTL3MBTL1
SCHEMBL18907200 0.82 MAOA (0.40) NUDT1ADORA2AMAOAMAPTL3MBTL1
SCHEMBL18907389 0.82 CYP1A2 (0.40) MAOAMAPTL3MBTL1HPRT1HPGD
SCHEMBL18200600 0.81 NUDT1 (0.47) NUDT1ADORA2AMAPTL3MBTL1HPGD
SCHEMBL18200601 0.81 NUDT1 (0.47) NUDT1ADORA2AMAPTL3MBTL1HPGD
SCHEMBL18907227 0.81 CYP1A1 (0.34) ADORA2AMAOAMAPTL3MBTL1HPGD

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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, CCNT1 NUDT1 1449/4885ADORA2A 4465/4885MAOA 1025/4885

“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.