Sugi Predict

Sugi Predict / Compounds / SCHEMBL6318787

SCHEMBL6318787

SCHEMBL6318787

CCOC(=O)CCC1CC1c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ MIF P14174 2/20 0.40
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL6325209 0.86 HTR2C (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL2428840 0.85 MIF (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6326971 0.84 HTR2A (0.51) ALDH1A1KDM4EHTR2AHTR2CHTR2B
SCHEMBL6319831 0.77 HTR2A (0.56) ALDH1A1KDM4ETSHRSMN1; SMN2LMNA
SCHEMBL14244289 0.76 MAPT (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL433974 0.76 MAPT (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL15428491 0.76 MAPT (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL28600953 0.76 MAPT (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL6056630 0.73 SHBG (0.44) ALDH1A1KDM4EESR2ESR1LMNA
SCHEMBL27820428 0.73 PDE4B (0.39) HTR2AHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 — — US disclosed
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 ALDH1A1 666/4885KDM4E 2902/4885TSHR 851/4885

“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.