SCHEMBL4080910

SCHEMBL4080910

CC(=O)OC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Br)c(C)c3)C(=O)[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.56
▸ HPGD P15428 11/20 0.56
▸ PKM P14618 11/20 0.56
▸ HTT P42858 5/20 0.56
▸ ALOX12 P18054 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HSP90AA1 P07900 10/20 0.46
▸ POLB P06746 1/20 0.46
▸ RECQL P46063 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 6/20 0.43
▸ NPBWR1 P48145 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
SCHEMBL13480908 1.00 ALDH1A1 (0.56) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL4080915 1.00 ALDH1A1 (0.56) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL4080911 1.00 ALDH1A1 (0.56) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL4081669 1.00 ALDH1A1 (0.56) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL4081670 1.00 ALDH1A1 (0.56) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL3194347 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL13480773 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL3194360 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL3194353 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPKMHTTALOX12
SCHEMBL13480763 0.80 ALDH1A1 (0.53) ALDH1A1HPGDPKMHTTALOX12

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
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 — — EP claimed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP claimed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 — — US claimed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 — — EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 — — US disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 — — 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-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 ALDH1A1 3219/4885HPGD 125/4885PKM 1124/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 ALDH1A1 3219/4885HPGD 125/4885PKM 1124/4885

“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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