SCHEMBL179257

SCHEMBL179257

C1=CC2Oc3ccc(-c4ccc5cc(-c6cccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)c6)ccc5c4)cc3C2C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
FASN P49327 1/20 0.31
PDE9A O76083 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL20363764 1.00 HSD17B1 (0.35) HSD17B1HSD17B2FASNPDE9ACYP17A1
SCHEMBL24973903 0.95 PDE9A (0.33) PDE9AESR1ESR2GPR84GABRA1
SCHEMBL179251 0.94 GPR84 (0.33) HSD17B1HSD17B2GPR84
SCHEMBL25450118 0.90 KDM4E (0.32)
SCHEMBL25450120 0.90 KDM4E (0.35) GPR84GABRA1GABRG2GABRB3
SCHEMBL12640770 0.90 ESR1 (0.33) ESR1ESR2GPR84
SCHEMBL13447366 0.89 CA12 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13250835 0.88
SCHEMBL13250692 0.88
SCHEMBL24177858 0.87 SIRT2 (0.30)

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-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-02-23 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-20120043533-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AOC2, AOC3, H1-4 HSD17B1 3408/4885HSD17B2 2899/4885FASN 4327/4885

“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.