Sugi Predict

Sugi Predict / Compounds / SCHEMBL3333378

SCHEMBL3333378

SCHEMBL3333378

CCCCOc1ccc(CC(=O)OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ PDE4A P27815 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ HDAC10 Q969S8 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PLA2G4B P0C869 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CYP4F2 P78329 1/20 0.54
▸ CYP4A11 Q02928 1/20 0.54

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
SCHEMBL2632219 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7280156 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL10757136 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL31473503 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL14125946 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL9160866 0.95 PLA2G4B (0.63) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL2628190 0.93 SMN1; SMN2 (0.59) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL3713107 0.88 ALDH1A1 (0.57) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL8850625 0.88 CYP4F2 (0.62) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL13348627 0.88 KDM4E (0.66) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 — — CN claimed
CN-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 — — CN disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 — — US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 — — US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 — — US disclosed
WO-2010011864-A2 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 — — WO disclosed
US-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-28 — — US disclosed
EP-2134687-A1 PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS AstraZeneca AB (SE) 2009-12-23 — — EP disclosed
US-20090182057-A1 DEUTERATED AMINOGLYCIDAL COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-16 — — US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 — — US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 — — US disclosed
EP-1472215-A4 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-05-09 — — EP disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 — — US disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 — — US disclosed
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 — — US disclosed
EP-1472215-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-11-03 — — EP disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 — — US disclosed
WO-2003065989-A2 (OXIME)CARBAMOYL FATTY ACID AMIDE HYDROLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-14 — — 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 (5 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 KDM4E 3322/4885CYP1A2 1423/4885CYP2D6 1509/4885
US-20090182057-A1 DEUTERATED AMINOGLYCIDAL COMPOUNDS ADRB2, GLRB, ADRB1 KDM4E 4135/4885CYP1A2 859/4885CYP2D6 862/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 KDM4E 450/4885CYP1A2 420/4885CYP2D6 417/4885
US-20100022549-A1 ALPHA-HELIX MIMETIC WITH FUNCTIONALIZED PYRIDAZINE H1-4, H1-5, H1-3 KDM4E 2866/4885CYP1A2 3759/4885CYP2D6 3201/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 KDM4E 450/4885CYP1A2 420/4885CYP2D6 417/4885

“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.