SCHEMBL3189077

SCHEMBL3189077

O=C1CC2CCC1C1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSP90AA1 P07900 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
ADRA2A P08913 1/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ADCY2 Q08462 1/20 0.39
RAD51 Q06609 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
SCHEMBL3189070 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1SMN1; SMN2KMT2AMEN1
SCHEMBL3189056 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1SMN1; SMN2KMT2AMEN1
SCHEMBL3263140 0.88 ADAM17 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3200136 0.88 MEN1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3263133 0.88 ADAM17 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3200129 0.88 MEN1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3200144 0.88 MEN1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3263138 0.88 ADAM17 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4591420 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL3186377 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1ALOX15

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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885HSP90AA1 1823/4885SMN1; SMN2 3782/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 ALDH1A1 3191/4885HSP90AA1 1823/4885SMN1; SMN2 3782/4885

“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.