SCHEMBL21800896

SCHEMBL21800896

CCC(C)c1ccc2nc(Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NMT1 P30419 1/20 0.39
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL5679246 0.83 BACE1 (0.51) SCN10AUSP2ALDH1A1GAAPKM
SCHEMBL3976029 0.82 NPC1 (0.42) SCN10AALDH1A1NMT1PIK3CDABL1
SCHEMBL14269818 0.79 NMT1 (0.38) NMT1PIK3CDABL1EGFRHCK
SCHEMBL31201698 0.79 UGT2B7 (0.52) NMT1PIK3CDABL1EGFRHCK
SCHEMBL31091858 0.79 TRPV4 (0.37) SCN10ANMT1PIK3CDABL1EGFR
SCHEMBL9167387 0.78 ALDH1A1 (0.53) SCN10AUSP2ALDH1A1GAAPKM
SCHEMBL23848110 0.78 ABCB11 (0.43) SCN10AUSP2ALDH1A1GAAPKM
SCHEMBL21800893 0.75 CYP3A4 (0.41) SCN10AUSP2ALDH1A1GAAPKM
SCHEMBL3934374 0.75 NMT1 (0.37) NMT1PIK3CDABL1EGFRHCK
SCHEMBL20309118 0.75 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10

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
EP-3626724-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-25 EP disclosed
EP-3626724-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-25 EP disclosed
US-20200091441-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-03-19 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-20200091441-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND NOM1, L1CAM, MEN1 SCN10A 2656/4885USP2 1885/4885ALDH1A1 260/4885

“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.