SCHEMBL20009956

SCHEMBL20009956

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6c(-c6cc(-c7cccnc7)nc(-c7ccccn7)c6)c6ccccc56)cc4)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
CYP2A6 P11509 1/20 0.50
DHODH Q02127 2/20 0.45
TSHR P16473 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
ADORA3 P0DMS8 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 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
SCHEMBL20009948 0.99 CYP19A1 (0.52) CYP19A1CYP2A6DHODHTSHRTP53
SCHEMBL20010227 0.92 CYP19A1 (0.65) CYP19A1DHODHTSHRTP53RAB9A
SCHEMBL20010040 0.90 CYP19A1 (0.63) CYP19A1DHODHTSHRTP53RAB9A
SCHEMBL20010255 0.90 CYP19A1 (0.68) CYP19A1CYP2A6DHODHTSHRTP53
SCHEMBL20009949 0.90 CYP19A1 (0.68) CYP19A1CYP2A6DHODHTSHRTP53
SCHEMBL20010233 0.90 CYP19A1 (0.62) CYP19A1DHODHTSHRTP53RAB9A
SCHEMBL20010118 0.90 CCR1 (0.49) DHODHTSHRTP53RAB9ASMN1; SMN2
SCHEMBL20010269 0.89 CCR1 (0.50) DHODHTSHRTP53RAB9ASMN1; SMN2
SCHEMBL20010117 0.88 CYP19A1 (0.55) CYP19A1CYP2A6DHODHTSHRTP53
SCHEMBL20009957 0.88 CCR1 (0.42) CYP19A1DHODHTSHRTP53RAB9A

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 547/4885DHODH 32/4885
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 560/4885DHODH 20/4885
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 547/4885DHODH 32/4885
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 547/4885DHODH 32/4885

“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.