SCHEMBL6320693

SCHEMBL6320693

O=C(O)CC1CC1c1ccc(O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 4/20 0.44
ITGAV P06756 4/20 0.44
ITGB6 P18564 3/20 0.44
ITGB5 P18084 2/20 0.44
ITGB1 P05556 2/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 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
SCHEMBL6327011 0.86 HTR2A (0.45) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6251811 0.81 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6324914 0.79 HTR2A (0.62) ITGB3ITGAVITGB6ALOX5HTR2A
SCHEMBL15271011 0.76 HTR2C (0.58) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL8436378 0.76 HTR2C (0.56) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6264316 0.75 ITGB3 (0.44) KMT2AITGB3ITGAVITGB6ITGB5
SCHEMBL6319047 0.75 CA1 (0.48) ITGB3ITGAVITGB6ITGB5SLC6A2
SCHEMBL24737408 0.74 HTR2A (0.62) HTR2AHTR2CHTR2B
SCHEMBL22991976 0.74 FFAR1 (0.51) POLBGAAMEN1KMT2AKDM4E
SCHEMBL14640227 0.74 FFAR1 (0.51) POLBGAAMEN1KMT2AKDM4E

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 4 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 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 POLB 4459/4885GAA 2476/4885MEN1 4048/4885

“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.