SCHEMBL579635

SCHEMBL579635

CCc1ccc(OC)c(C(O)CCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.45
STAT3 P40763 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
G6PD P11413 1/20 0.42

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
SCHEMBL5200533 0.88 SIGMAR1 (0.46) ABCB1STAT3SIGMAR1
SCHEMBL6054839 0.87 IDO1 (0.48) GAAADRB2ADRA2AADRA1A
SCHEMBL3913665 0.84 ABCB1 (0.59) ABCB1
SCHEMBL30849681 0.84 ABCB1 (0.59) ABCB1
SCHEMBL580494 0.81 ABCB1 (0.44) ABCB1POLBGAAADRA2AADRA1A
SCHEMBL13761466 0.78 ADRB2 (0.45) ADRB2ADRA2AADRA1A
SCHEMBL579636 0.77 ADRB2 (0.50) STAT3ADRB2
SCHEMBL580491 0.77 ADRB2 (0.50) STAT3ADRB2
SCHEMBL579976 0.75 CHRM2 (0.46) ADRB2
SCHEMBL580492 0.75 CHRM2 (0.46) ADRB2

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 ABCB1 2728/4885STAT3 4502/4885POLB 2451/4885

“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.