SCHEMBL20010312

SCHEMBL20010312

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6cccnc6)nc(-c6ccccn6)c5)c5ccccc45)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
CYP2A6 P11509 1/20 0.51
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 2/20 0.43
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
ADORA3 P0DMS8 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20010117 0.99 CYP19A1 (0.55) CYP19A1CYP2A6TSHRNPC1TP53
SCHEMBL20009947 0.91 CYP19A1 (0.62) CYP19A1TSHRTP53SMN1; SMN2DHODH
SCHEMBL20009955 0.90 CYP19A1 (0.65) CYP19A1TSHRNPC1TP53RAB9A
SCHEMBL18675709 0.90 CCR1 (0.46) TSHRNPC1TP53PKMRAB9A
SCHEMBL20009949 0.89 CYP19A1 (0.68) CYP19A1CYP2A6TSHRNPC1TP53
SCHEMBL20010255 0.89 CYP19A1 (0.68) CYP19A1CYP2A6TSHRNPC1TP53
SCHEMBL20010304 0.89 CCR1 (0.45) TSHRNPC1TP53PKMRAB9A
SCHEMBL20009948 0.88 CYP19A1 (0.52) CYP19A1CYP2A6TSHRNPC1TP53
SCHEMBL20010113 0.88 MAPK1 (0.44) TSHRNPC1TP53PKMRAB9A
SCHEMBL20009956 0.87 CYP19A1 (0.55) CYP19A1CYP2A6TSHRNPC1TP53

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 1250/4885CYP2A6 547/4885TSHR 4514/4885
US-20210320261-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP19A1 1268/4885CYP2A6 560/4885TSHR 4483/4885
US-10468605-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885CYP2A6 547/4885TSHR 4514/4885
US-11081648-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP19A1 1250/4885CYP2A6 547/4885TSHR 4514/4885

“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.