SCHEMBL3107182

SCHEMBL3107182

CSCCOc1ccc(-c2cc(C(O)C3CCCCC3)c(C)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.39
ACHE P22303 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3109737 0.95 HRH3 (0.40) HRH3ACHEMEN1KMT2AABCB1
SCHEMBL3106835 0.88 HRH3 (0.35) HRH3ACHEMEN1KMT2AABCB1
SCHEMBL3095304 0.82 HRH3 (0.36) HRH3ACHEMEN1KMT2AABCB1
SCHEMBL3102426 0.82 MMP13 (0.45) KMT2AALDH1A1KDM4EMMP13KCNH2
SCHEMBL3098878 0.78 SCN10A (0.40) ACHEALDH1A1KDM4EMMP13L3MBTL1
SCHEMBL3106796 0.77 NPC1 (0.40) MEN1KMT2AMMP13
SCHEMBL3095713 0.77 NPC1 (0.45) ALDH1A1KDM4EMMP13L3MBTL1
SCHEMBL3113043 0.77 ALDH1A1 (0.39) HRH3MEN1KMT2AALDH1A1LMNA
SCHEMBL3095541 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3090795 0.75 RCE1 (0.41) MEN1KMT2AALDH1A1MMP13LMNA

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR HRH3 71/4885ACHE 3233/4885MEN1 233/4885

“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.