SCHEMBL1103333

SCHEMBL1103333

c1cncc(-c2cc(-c3c4ccccc4c(-c4cc(-c5cccnc5)nc(-c5cccnc5)c4)c4c3cnc3ccccc34)cc(-c3cccnc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
CYP2A6 P11509 2/20 0.46
DHODH Q02127 1/20 0.45
CYP2C9 P11712 5/20 0.44
PDPK1 O15530 2/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 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
SCHEMBL1103327 0.88 ACHE (0.44) CYP19A1DHODHPDPK1HPGDNPC1
SCHEMBL1103314 0.88 CYP2A6 (0.46) CYP2A6CYP2C9F2HPGDMEN1
SCHEMBL16314396 0.86 CYP19A1 (0.39) CYP19A1CYP2A6DHODHCYP2C9PDPK1
SCHEMBL1102533 0.79 CYP19A1 (0.63) CYP19A1CYP2A6DHODHCYP2C9F2
SCHEMBL20010233 0.79 CYP19A1 (0.62) CYP19A1DHODHCYP2C9F2HPGD
SCHEMBL1102914 0.79 CYP19A1 (0.58) CYP19A1CYP2A6DHODHCYP2C9HPGD
SCHEMBL1103282 0.78 ESR1 (0.39) CYP2C9PDPK1HPGDALDH1A1CYP1A2
SCHEMBL1103556 0.78 SMN1; SMN2 (0.39) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL20010227 0.77 CYP19A1 (0.65) CYP19A1DHODHCYP2C9F2HPGD
SCHEMBL1105452 0.77 ESR1 (0.43) CYP2C9PDPK1HPGDALDH1A1CYP1A2

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 CYP19A1 1424/4885CYP2A6 1911/4885DHODH 1013/4885

“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.