SCHEMBL580491

SCHEMBL580491

CCc1ccc(OC)c(CC[C@H](O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KMT2A Q03164 2/20 0.41
HTR1A P08908 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
STAT3 P40763 1/20 0.40
LMNA P02545 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
SCHEMBL579636 1.00 ADRB2 (0.50) ADRB2KDM4EALDH1A1PPARGPPARA
SCHEMBL5200536 0.88 ADRB2 (0.50) ADRB2KDM4EALDH1A1PPARGPPARA
SCHEMBL580495 0.80 RIPK1 (0.44) ADRB2KDM4EALDH1A1KMT2AHTR1A
SCHEMBL579635 0.77 ABCB1 (0.45) ADRB2STAT3
SCHEMBL10835922 0.76 PPARA (0.56) PPARGPPARA
SCHEMBL13761515 0.75 ALOX5 (0.46) KDM4E
SCHEMBL13761466 0.74 ADRB2 (0.45) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL26037611 0.74 GABRA1 (0.55)
SCHEMBL8534575 0.74 ADRB2 (0.54) ADRB2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13984169 0.73 ADRB2 (0.44) ADRB2KDM4EALDH1A1KMT2AMEN1

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 ADRB2 11/4885KDM4E 1444/4885ALDH1A1 230/4885

“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.