SCHEMBL3323219

SCHEMBL3323219

Cc1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
PTGES O14684 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
FKBP1A P62942 1/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13949905 0.93 ALDH1A1 (0.46) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL6083995 0.86 ALDH1A1 (0.64) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL3318109 0.86 ALDH1A1 (0.54) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL6084415 0.85 P2RX7 (0.51) HSD11B1ALDH1A1LMNANPC1TP53
SCHEMBL13949720 0.85 RAB9A (0.43) HSD11B1ALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL3319841 0.83 GAA (0.57) HSD11B1ALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL1770376 0.83 HSD11B1 (0.54) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL6084262 0.80 ALDH1A1 (0.54) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL11678560 0.80 HTT (0.57) HSD11B1ALDH1A1LMNAPTGESL3MBTL1
SCHEMBL6085750 0.76 ALDH1A1 (0.58) HSD11B1ALDH1A1LMNAPTGESHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299249-B2 Method for producing TETA by means of EDDN BASF SE (DE) 2012-10-30 US disclosed
US-20100121064-A1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN BASF SE (DE) 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-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 (3 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-20100121064-A1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN TET1, TET3, TET2 HSD11B1 696/4885ALDH1A1 576/4885LMNA 824/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885ALDH1A1 437/4885LMNA 4234/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885ALDH1A1 3143/4885LMNA 4234/4885

“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.