SCHEMBL2964945

SCHEMBL2964945

c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
GSTP1 P09211 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALOX5 P09917 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
GPR84 Q9NQS5 1/20 0.38
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL31499010 0.93 HSD17B1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL23683107 0.93 HSD17B1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL15366859 0.92 PIM1 (0.45) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL2775233 0.92 ESR1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL29360710 0.92 ESR1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL536536 0.91 PIM1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL29350427 0.91 PIM1 (0.47) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL25633816 0.90 HSD17B1 (0.45) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL25060824 0.90 CA12 (0.43) PIM1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL26753277 0.89 PIM1 (0.48) PIM1HSD17B1HSD17B2HDAC8HDAC4

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 PIM1 3816/4885HSD17B1 2165/4885HSD17B2 2220/4885

“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.