SCHEMBL21808588

SCHEMBL21808588

Cc1ccc(-c2cccc(Nc3cccc(-c4ccc(C)cc4)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
AR P10275 1/20 0.44
SYK P43405 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MGLL Q99685 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PTPN5 P54829 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
DHODH Q02127 1/20 0.40
PNPLA2 Q96AD5 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL22815330 0.92 HPGD (0.55) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL17573078 0.90 HPGD (0.69) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL20817036 0.86 HPGD (0.48) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL23576809 0.85 NPC1 (0.42) HPGDMAPTNPC1RAB9ARXFP1
SCHEMBL17899773 0.85 NPSR1 (0.40) HPGDNPSR1MAPTALDH1A1SYK
SCHEMBL23820568 0.84 ALDH1A1 (0.64) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL25656332 0.83 NPSR1 (0.58) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL31602193 0.82 ALDH1A1 (0.68) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL12367617 0.82 ALDH1A1 (0.68) HPGDNPSR1MAPTMEN1KMT2A
SCHEMBL20564184 0.82 NPSR1 (0.62) HPGDNPSR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2024-11-19 US disclosed
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 US disclosed
WO-2020060271-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-03-26 WO 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 (2 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-12145898-B2 Compound, composition comprising same, and organic light emitting diode comprising same CRY1, SEM1, NOTUM HPGD 1689/4885NPSR1 4861/4885MAPT 526/4885
US-20210253512-A1 COMPOUND, COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, SEM1, NOTUM HPGD 1689/4885NPSR1 4861/4885MAPT 526/4885

“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.