SCHEMBL2961289

SCHEMBL2961289

c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccc6c(-c7cccc(-c8ccccc8)c7)c7ccccc7c(-c7cccc(-c8ccccc8)c7)c6c5)ccc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOA P21397 1/20 0.41
KMO O15229 1/20 0.41
ALOX5 P09917 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
GP6 Q9HCN6 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PLA2G2A P14555 3/20 0.39
PLA2G4A P47712 3/20 0.39
PLA2G10 O15496 1/20 0.39
JAK2 O60674 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL29541990 0.96 ESR1 (0.43) ESR1MEN1KMT2AMAOAKMO
SCHEMBL21332240 0.96 ESR1 (0.43) ESR1MEN1KMT2AMAOAKMO
SCHEMBL21435746 0.93 HSD17B1 (0.43) ESR1MEN1KMT2AMAOAKMO
SCHEMBL2964995 0.91 ESR2 (0.46) ESR1MEN1KMT2AMAOAALOX5
SCHEMBL19283276 0.91 ESR2 (0.46) ESR1MEN1KMT2AMAOAALOX5
SCHEMBL23056792 0.91 ACHE (0.43) ESR1ALOX5ESR2ALDH1A1JAK2
SCHEMBL21435747 0.91 ESR2 (0.46) ESR1MEN1KMT2AMAOAALOX5
SCHEMBL7900244 0.91 MAOA (0.44) ESR1MEN1KMT2AMAOAKMO
SCHEMBL23879775 0.91 ACHE (0.43) ESR1ALOX5ESR2ALDH1A1JAK2
SCHEMBL5599347 0.91 ESR2 (0.46) ESR1MEN1KMT2AMAOAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ESR1 1031/4885MEN1 2659/4885KMT2A 2003/4885

“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.