SCHEMBL1770089

SCHEMBL1770089

O=C(CSc1ccc(C(F)(F)F)cn1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD11B1 P28845 3/20 0.44
LMNA P02545 2/20 0.44
PTGES O14684 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
STAT6 P42226 1/20 0.39

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
SCHEMBL13689136 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EHSD11B1DDB1CRBN
SCHEMBL1770200 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHSD11B1LMNAPTGES
SCHEMBL1769989 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHSD11B1LMNAPTGES
SCHEMBL1770331 0.77 EPHX2 (0.50) ALDH1A1HSD11B1EPHX2SMN1; SMN2
SCHEMBL1769981 0.76 HSD11B1 (0.45) ALDH1A1KDM4EHSD11B1LMNAPTGES
SCHEMBL1770119 0.76 HSD11B1 (0.51) ALDH1A1KDM4EHSD11B1LMNAPTGES
SCHEMBL4032772 0.76 ALDH1A1 (0.67) ALDH1A1KDM4EPKML3MBTL1HPGD
SCHEMBL1770115 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHSD11B1LMNAPTGES
SCHEMBL1770009 0.75 PPARD (0.45) HSD11B1SMN1; SMN2
SCHEMBL5717582 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ELMNADDB1CRBN

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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 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 (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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 ALDH1A1 307/4885KDM4E 1739/4885HSD11B1 1/4885

“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.