SCHEMBL3322815

SCHEMBL3322815

COc1cc2c(cc1OCc1ccccc1)CCN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CHRNA7 P36544 2/20 0.56
▸ GPR183 P32249 1/20 0.56
▸ HCRTR2 O43614 6/20 0.51
▸ HCRTR1 O43613 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL13950149 0.90 KMT2A (0.57) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL3322456 0.88 ALDH1A1 (0.58) KMT2ANPC1ALDH1A1MEN1ALOX12
SCHEMBL3320913 0.87 CHRNA7 (0.58) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL13361620 0.83 CHRNA7 (0.55) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL3322835 0.82 ALDH1A1 (0.52) KMT2ANPC1ALDH1A1MEN1ALOX12
SCHEMBL9667825 0.81 CHRNA7 (0.69) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL9668362 0.81 CHRNA7 (0.69) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL9416631 0.80 KMT2A (0.76) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL3056571 0.77 KDM4E (0.69) KMT2ANPC1CHRNA7GPR183HCRTR2
SCHEMBL9416605 0.77 LMNA (0.75) KMT2ANPC1CHRNA7GPR183HCRTR2

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 4 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-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 KMT2A 3083/4885NPC1 1106/4885CHRNA7 243/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 KMT2A 2533/4885NPC1 2474/4885CHRNA7 95/4885

“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.

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