SCHEMBL580171

SCHEMBL580171

COC(=O)CC(c1ccccc1)c1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
CTSA P10619 7/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL587249 0.90 CTSA (0.51) CTSANPSR1MAPK1CYP1A2CYP3A4
SCHEMBL580317 0.90 CTSA (0.51) CTSANPSR1MAPK1CYP1A2CYP3A4
SCHEMBL2789512 0.83 KMT2A (0.54) TNFKMT2AMEN1NPSR1HTT
SCHEMBL9228927 0.82 LMNA (0.55) CTSAKMT2AMEN1NPSR1HTT
SCHEMBL580391 0.81 NPSR1 (0.48) TNFKMT2AMEN1NPSR1HTT
SCHEMBL579703 0.81 CYP1A2 (0.43) TNFCTSAKMT2AMEN1NPSR1
SCHEMBL580496 0.81 CYP1A2 (0.43) TNFCTSAKMT2AMEN1NPSR1
SCHEMBL14387382 0.77 CTSA (0.44) TNFCTSANPSR1HTTMAPK1
SCHEMBL580382 0.77 KMT2A (0.46) KMT2AMEN1NPSR1HTTMAPT
SCHEMBL580339 0.77 KMT2A (0.46) KMT2AMEN1NPSR1HTTMAPT

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 TNF 3676/4885CTSA 1492/4885KMT2A 1676/4885

“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.