SCHEMBL580334

SCHEMBL580334

COc1ccc(C(C)(C)C)cc1C(CCc1ccccc1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.49
ALDH1A1 P00352 6/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NR1I2 O75469 4/20 0.36

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
SCHEMBL580012 0.85 CYP24A1 (0.48) CYP24A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL5197570 0.83 CNR2 (0.47) CYP24A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL580335 0.80 CYP24A1 (0.39) CYP24A1ALDH1A1GAALMNAHTT
SCHEMBL579971 0.80 CYP24A1 (0.39) CYP24A1ALDH1A1GAALMNAHTT
SCHEMBL580494 0.74 ABCB1 (0.44) GAAPOLBTAS1R3TAS1R1
SCHEMBL28664196 0.71 ALDH1A1 (0.58) CYP24A1ALDH1A1GAAPOLB
SCHEMBL605143 0.68 ALDH1A1 (0.51) CYP24A1ALDH1A1GAALMNA
SCHEMBL17023782 0.68 CYP24A1 (0.48) CYP24A1ALDH1A1GAALMNAHTT
SCHEMBL29090841 0.68 CYP24A1 (0.42) CYP24A1ALDH1A1PDE4DGAALMNA
SCHEMBL4001032 0.68 ALDH1A1 (0.41) CYP24A1ALDH1A1GAALMNAHTT

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 CYP24A1 2421/4885ALDH1A1 230/4885PDE4A 46/4885

“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.