SCHEMBL22379976

SCHEMBL22379976

Oc1ccc(-c2cccc(-c3ccccc3)c2)cc1Cl

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.92
ALOX5 P09917 3/20 0.59
HSD17B1 P14061 3/20 0.58
HSD17B2 P37059 3/20 0.58
ACMSD Q8TDX5 2/20 0.56
APP P05067 1/20 0.56
DUSP3 P51452 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL1513545 0.96 ESR2 (1.00) ESR2ALOX5HSD17B1HSD17B2ACMSD
SCHEMBL16581366 0.94 ESR2 (0.79) ESR2ALOX5HSD17B1HSD17B2ACMSD
SCHEMBL28202577 0.84 ESR2 (0.77) ESR2ALOX5HSD17B1HSD17B2APP
SCHEMBL278316 0.84 ESR2 (0.77) ESR2ALOX5HSD17B1HSD17B2APP
SCHEMBL29911026 0.84 ESR2 (0.77) ESR2ALOX5HSD17B1HSD17B2APP
SCHEMBL6854117 0.83 ALOX5 (0.74) ESR2ALOX5HSD17B1HSD17B2APP
Methane SCHEMBL10594573 0.82 ESR2 (0.74) ESR2ALOX5HSD17B1HSD17B2APP
SCHEMBL22379962 0.81 ESR2 (0.60) ESR2HSD17B1HSD17B2ACMSDAPP
SCHEMBL11608660 0.80 ESR2 (0.72) ESR2ALOX5HSD17B1HSD17B2MEN1
SCHEMBL3566128 0.80 ESR2 (0.72) ESR2ALOX5HSD17B1HSD17B2APP

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-20210257564-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2021-08-19 US disclosed
US-11038126-B2 Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device, and illumination device MITSUBISHI CHEMICAL CORPORATION (JP) 2021-06-15 US disclosed
US-20200274078-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2020-08-27 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 (3 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-20210257564-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE RB1, ARL1, CDKL1 ESR2 769/4885ALOX5 2987/4885HSD17B1 1786/4885
US-11038126-B2 Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device, and illumination device ACVRL1, CCNL2, CXCR1 ESR2 248/4885ALOX5 1863/4885HSD17B1 3151/4885
US-20200274078-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE ACVRL1, CCNL2, CXCR1 ESR2 248/4885ALOX5 1863/4885HSD17B1 3151/4885

“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.