SCHEMBL4516331

SCHEMBL4516331

Brc1ccc2cc(Oc3ccccc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
LTA4H P09960 3/20 0.50
TSHR P16473 1/20 0.50
MCL1 Q07820 2/20 0.47
MAOB P27338 2/20 0.45
MAOA P21397 2/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
PGR P06401 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
GSTP1 P09211 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 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
SCHEMBL9789564 0.87 LTA4H (0.67) CYP2A6LTA4HTSHRMAOBMAOA
SCHEMBL9515088 0.82 LTA4H (0.60) CYP2A6LTA4HTSHRMAOBMAOA
SCHEMBL4402154 0.82 LTA4H (0.60) CYP2A6LTA4HTSHRMAOBMAOA
SCHEMBL29860094 0.82 LTA4H (0.60) CYP2A6LTA4HTSHRMAOBMAOA
SCHEMBL314422 0.82 LTA4H (0.67) LTA4HTSHRMCL1MAOANR1H2
SCHEMBL18105336 0.82 LTA4H (0.67) LTA4HTSHRMCL1MAOANR1H2
SCHEMBL25232253 0.82 MAOA (0.47) CYP2A6LTA4HMAOBMAOATHRB
SCHEMBL5434 0.80 LTA4H (0.57) LTA4HTSHRMAOBNR1H2BAX
SCHEMBL30020579 0.80 LTA4H (0.57) LTA4HTSHRMAOBNR1H2BAX
SCHEMBL1136688 0.80 LTA4H (0.63) LTA4HTSHRMCL1MAOANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP2A6 66/4885LTA4H 1800/4885TSHR 1659/4885

“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.