SCHEMBL3519692

SCHEMBL3519692

C=CCC(CC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL16211023 0.93 MEN1 (0.39) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL283884 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL6451149 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL4740338 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL4424463 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL28559339 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL12933672 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL13755066 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL9695816 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL21359810 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP1A2

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-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-5110914-A Ion exchanging UNIVERSITY OF MIAMI (US) 1992-05-05 US disclosed
US-5086167-A Ion exchanging with a ligand/matrix using a combination of pi-electron and electrostatic interaction of the ligand and ionic amino acids UNIVERSITY OF MIAMI (US) 1992-02-04 US disclosed
EP-0371746-A2 Method of separating proteins UNIVERSITY OF MIAMI (US) 1990-06-06 EP 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR MEN1 764/4885KMT2A 4157/4885ALDH1A1 4808/4885

“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.