SCHEMBL1103531

SCHEMBL1103531

Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c2cnc2ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
GRM5 P41594 1/20 0.40
MET P08581 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CTRC Q99895 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 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
SCHEMBL1103518 0.94 MET (0.38) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4
SCHEMBL1103446 0.93 ESR1 (0.43) SMN1; SMN2MAPTMETESR1ESR2
SCHEMBL1103465 0.92 ESR1 (0.42) SMN1; SMN2MAPTMETESR1ESR2
SCHEMBL1103719 0.92 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTMETESR1
SCHEMBL1103452 0.92 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTMETESR1
SCHEMBL1103448 0.91 ESR1 (0.48) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4
SCHEMBL1103485 0.91 ESR1 (0.48) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4
SCHEMBL1103484 0.91 ESR1 (0.48) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4
SCHEMBL1103381 0.91 ESR1 (0.48) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4
SCHEMBL1103493 0.91 ESR1 (0.48) ALDH1A1CYP1A2HPGDSMN1; SMN2CYP3A4

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 1015/4885CYP1A2 1437/4885HPGD 2787/4885

“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.