SCHEMBL6319899

SCHEMBL6319899

COc1ccc(C2CC2CC=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR3C1 P04150 1/20 0.44
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41
TUBA1C Q9BQE3 4/20 0.41

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
SCHEMBL6319047 0.81 CA1 (0.48) PDE4APDE4BPDE4CPDE4DNR3C1
SCHEMBL15669104 0.80 KDM1A (0.50) CHRM2CHRM1CHRM3ALDH1A1KDM1A
SCHEMBL6251810 0.80 HTR2C (0.61) CHRM2CHRM1CHRM3TUBB4ATUBB
SCHEMBL6322679 0.78 CHRM2 (0.70) CHRM2CHRM1CHRM3KDM1A
SCHEMBL6319840 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DNR3C1
SCHEMBL8335519 0.74 FFAR1 (0.44) CHRM2CHRM1CHRM3KDM1ASLC6A2
SCHEMBL6327503 0.74 HTR2C (0.42)
SCHEMBL9380717 0.73 ALOX5 (0.58) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL9380715 0.73 ALOX5 (0.58) PDE4APDE4BPDE4CPDE4DTUBB4A
Ammonia Solution, Strong SCHEMBL265635 0.72 NR3C1 (0.58) PDE4APDE4BPDE4CPDE4DNR3C1

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
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US claimed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US claimed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 PDE4A 2611/4885PDE4B 2515/4885PDE4C 2920/4885

“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.