SCHEMBL1103394

SCHEMBL1103394

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4c3cnc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL1103461 0.97 ALDH1A1 (0.40) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103365 0.95 CDK4 (0.39) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103426 0.94 ALDH1A1 (0.39) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103391 0.91 ALDH1A1 (0.38) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1105452 0.89 ESR1 (0.43) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103419 0.88 ALDH1A1 (0.36) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103398 0.88 ALDH1A1 (0.36) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103560 0.87 TNF (0.43) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103462 0.87 MAPT (0.42) ALDH1A1NPSR1HTTHPGDMAPT
SCHEMBL1103486 0.87 ESR1 (0.42) ALDH1A1NPSR1HTTHPGDMAPT

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ALDH1A1 1015/4885NPSR1 4037/4885HTT 4390/4885

“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.