SCHEMBL23840263

SCHEMBL23840263

Clc1c(-n2c(-c3ccccc3)nc3ccccc32)cccc1-n1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
ALDH1A1 P00352 3/20 0.50
PDE6D O43924 1/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
POLB P06746 2/20 0.49
PTGS2 P35354 2/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
TYMS P04818 1/20 0.47
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL22599796 0.90 ESR1 (0.52) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL26149298 0.83 ESR1 (0.43) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL23266608 0.83 ESR1 (0.58) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL23840264 0.83 GAA (0.43) ESR1ESR2ALDH1A1POLBHTT
SCHEMBL22599753 0.83 ESR1 (0.43) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL28382155 0.83 GSR (0.55) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL12854036 0.82 ESR1 (0.56) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL2462367 0.82 ESR1 (0.56) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL13299515 0.82 TSHR (0.68) ESR1ESR2ALDH1A1PDE6DALDH2
SCHEMBL23266684 0.81 ESR1 (0.52) ESR1ESR2ALDH1A1PDE6DALDH2

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-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
WO-2021185712-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 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 (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-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, CTCF, EED ESR1 47/4885ESR2 159/4885ALDH1A1 628/4885

“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.