SCHEMBL3321989

SCHEMBL3321989

O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2sccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ BPTF Q12830 1/20 0.50
▸ DPP4 P27487 1/20 0.46
▸ HSD11B1 P28845 3/20 0.45
▸ TSHR P16473 1/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.41
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL3456257 0.81 ALDH1A1 (0.76) ALDH1A1ALOX12BPTFDPP4HSD11B1
SCHEMBL3323811 0.81 HSD11B1 (0.65) ALDH1A1HSD11B1TSHRGRM1SLC6A2
SCHEMBL6973736 0.76 ALDH1A1 (0.56) ALDH1A1ALOX12BPTFDPP4HSD11B1
SCHEMBL22481607 0.76 HSP90AA1 (0.47) ALDH1A1TSHRSLC6A2SLC6A4HSP90AA1
SCHEMBL19296215 0.76 HSP90AA1 (0.50) ALDH1A1TSHRSLC6A2SLC6A4HSP90AA1
SCHEMBL2962273 0.73 HSP90AA1 (0.50) ALDH1A1TSHRSLC6A2SLC6A4HSP90AA1
SCHEMBL3322456 0.73 ALDH1A1 (0.58) ALDH1A1ALOX12LMNAMAPTMAPK1
SCHEMBL640879 0.72 BPTF (0.70) ALDH1A1ALOX12BPTFDPP4HSD11B1
SCHEMBL2023735 0.72 HSP90AA1 (0.51) ALDH1A1TSHRSLC6A2SLC6A4HSP90AA1
SCHEMBL4253684 0.70 HSP90AA1 (0.50) ALDH1A1TSHRSLC6A2SLC6A4HSP90AA1

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 ALDH1A1 437/4885ALOX12 1459/4885BPTF 3966/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 ALDH1A1 3143/4885ALOX12 2739/4885BPTF 3011/4885

“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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