SCHEMBL20009955

SCHEMBL20009955

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cc(-c7cccnc7)nc(-c7cccnc7)c6)c6ccccc56)cc4)n3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.65
DHODH Q02127 1/20 0.51
CYP11B1 P15538 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAPT P10636 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL20009947 0.99 CYP19A1 (0.62) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL20010117 0.92 CYP19A1 (0.55) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL20010312 0.90 CYP19A1 (0.52) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL17829307 0.88 ALDH1A1 (0.52) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL20010124 0.88 CYP19A1 (0.83) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL20009951 0.88 CYP19A1 (0.83) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL21099057 0.87 CYP11B1 (0.50) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL10051521 0.87 CYP19A1 (0.81) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9
SCHEMBL21131831 0.87 CYP11B1 (0.56) CYP19A1CYP11B1ALDH1A1CYP2C9CYP1A2
SCHEMBL21099083 0.86 CYP19A1 (0.53) CYP19A1DHODHCYP11B1ALDH1A1CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-10-14 US disclosed
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2021-08-03 US disclosed
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2019-11-05 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 US disclosed
US-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-29 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 (4 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-20180090686-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885DHODH 32/4885CYP11B1 1561/4885
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP19A1 1268/4885DHODH 20/4885CYP11B1 1434/4885
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885DHODH 32/4885CYP11B1 1561/4885
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885DHODH 32/4885CYP11B1 1561/4885

“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.