SCHEMBL4826653

SCHEMBL4826653

c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccccc45)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAOA P21397 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ACHE P22303 2/20 0.45
KMO O15229 1/20 0.45
ALOX5 P09917 1/20 0.44
ESR2 Q92731 3/20 0.44
ACMSD Q8TDX5 1/20 0.44
GP6 Q9HCN6 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL27919629 0.95 MAOA (0.46) ESR1MEN1KMT2AMAOAALDH1A1
SCHEMBL21332240 0.93 ESR1 (0.43) ESR1MEN1KMT2AMAOAALDH1A1
SCHEMBL29541990 0.93 ESR1 (0.43) ESR1MEN1KMT2AMAOAALDH1A1
SCHEMBL2960612 0.92 ALDH1A1 (0.47) ESR1MEN1KMT2AALDH1A1ACHE
SCHEMBL21435746 0.91 HSD17B1 (0.43) ESR1MEN1KMT2AMAOAACHE
SCHEMBL21435730 0.90 ACHE (0.48) ESR1MAOAALDH1A1ACHEKMO
SCHEMBL15367055 0.89 ESR1 (0.52) ESR1MEN1KMT2AESR2CYP3A4
SCHEMBL21435722 0.89 ALDH1A1 (0.56) ESR1ALDH1A1ACHEESR2CYP3A4
SCHEMBL4314881 0.89 ESR1 (0.52) ESR1MEN1KMT2AESR2CYP3A4
SCHEMBL21435740 0.89 ALDH1A1 (0.56) ESR1ALDH1A1ACHEESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193799-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-08-14 US disclosed
US-7361796-B2 Orangic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-04-22 US disclosed
US-7053255-B2 Substituted diphenylanthracene compounds for organic electroluminescence devices IDEMITSU KOSAN CO., LTD. (JP) 2006-05-30 US disclosed
US-20060083947-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 US disclosed
US-20040214035-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. 2004-10-28 US disclosed
EP-1333018-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2003-08-06 EP 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-20080193799-A1 Organic electroluminescence device EED, KCNH2, DCX ESR1 333/4885MEN1 4181/4885KMT2A 899/4885

“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.