SCHEMBL580013

SCHEMBL580013

CCc1ccc(OC)c([C@H](CCOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP24A1 Q07973 1/20 0.39
ALDH1A1 P00352 7/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL580458 1.00 CHRM2 (0.40) CHRM2CHRM1CYP24A1ALDH1A1LMNA
SCHEMBL580390 1.00 CHRM2 (0.40) CHRM2CHRM1CYP24A1ALDH1A1LMNA
SCHEMBL4001032 0.90 ALDH1A1 (0.41) CHRM2CHRM1CYP24A1ALDH1A1LMNA
SCHEMBL5197573 0.90 CNR2 (0.41) CHRM2CHRM1CYP24A1ALDH1A1LMNA
SCHEMBL5197990 0.90 CNR2 (0.41) CHRM2CHRM1CYP24A1ALDH1A1LMNA
SCHEMBL579971 0.84 CYP24A1 (0.39) CYP24A1ALDH1A1LMNAHTTGAA
SCHEMBL580335 0.84 CYP24A1 (0.39) CYP24A1ALDH1A1LMNAHTTGAA
SCHEMBL4057724 0.80 LMNA (0.43) CHRM2CHRM1ALDH1A1LMNAMAPT
SCHEMBL580012 0.80 CYP24A1 (0.48) CYP24A1ALDH1A1LMNAHTTGAA
SCHEMBL4655851 0.79 LMNA (0.44) CYP24A1ALDH1A1LMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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 (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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 CHRM2 22/4885CHRM1 39/4885CYP24A1 2421/4885

“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.