SCHEMBL3324604

SCHEMBL3324604

O=C(C[S+]([O-])Cc1ccco1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
KMT2A Q03164 4/20 0.55
HSD11B1 P28845 1/20 0.52
TSHR P16473 4/20 0.50
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL3321305 0.77 HSD11B1 (0.54) POLBKMT2AHSD11B1ALDH1A1LMNA
SCHEMBL10349958 0.75 ALDH1A1 (0.42) KMT2AHSD11B1TSHRALDH1A1HTT
SCHEMBL9519142 0.74 ALDH1A1 (0.41) KMT2ATSHREPHX2ALDH1A1HPGD
SCHEMBL3323361 0.74 POLB (0.58) POLBKMT2AHSD11B1TSHRGAA
SCHEMBL3323903 0.74 KMT2A (0.58) POLBKMT2AHSD11B1TSHRGAA
SCHEMBL3322539 0.74 ALDH1A1 (0.41) HSD11B1GAAMAPK1ALDH1A1HPGD
SCHEMBL1769926 0.74 CYP17A1 (0.52) KMT2AHSD11B1GAAALDH1A1HTT
SCHEMBL1769922 0.73 HSD11B1 (0.53) HSD11B1TSHRMAPK1EPHX2ALDH1A1
SCHEMBL9083176 0.73 ALDH1A1 (0.40) POLBKMT2ATSHRGAAEPHX2
SCHEMBL6433645 0.73 ALOX5 (0.46) POLBKMT2AGAAEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 POLB 1708/4885KMT2A 3083/4885HSD11B1 3/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 POLB 3372/4885KMT2A 2533/4885HSD11B1 73/4885

“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.