SCHEMBL18347016

SCHEMBL18347016

Cc1ccc2ccc3c(-c4ccc5ccccc5c4)nc4ccccc4c3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ADORA2A P29274 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
CYP2A6 P11509 2/20 0.42
DHODH Q02127 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTRC Q99895 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 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
SCHEMBL18347042 0.92 MAOA (0.51) MAOAALDH1A1KDM4EADORA2ATDP1
SCHEMBL18347043 0.90 TDP1 (0.43) MAOAALDH1A1KDM4EADORA2ATDP1
SCHEMBL18200645 0.89 MAPK8 (0.43) ALDH1A1KDM4EADORA2ALMNAMAPT
SCHEMBL18200633 0.87 MAPK8 (0.42) ALDH1A1KDM4EADORA2ALMNAMAPT
SCHEMBL18200400 0.85 MAPK8 (0.40) MAOAALDH1A1KDM4EADORA2ALMNA
SCHEMBL17034868 0.84 TDP1 (0.57) MAOAALDH1A1KDM4EADORA2ATDP1
SCHEMBL18347021 0.84 ESR1 (0.45) ALDH1A1KDM4ELMNAMAPTDHODH
SCHEMBL18201033 0.83 ESR1 (0.42) ALDH1A1KDM4EADORA2ADHODHPDE10A
SCHEMBL18200538 0.83 ESR1 (0.42) ALDH1A1KDM4EADORA2ADHODHPDE10A
SCHEMBL18200604 0.83 ESR1 (0.42) ALDH1A1KDM4EADORA2ADHODHPDE10A

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 MAOA 190/4885ALDH1A1 85/4885KDM4E 1977/4885

“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.