Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476244

SCHEMBL4476244

SCHEMBL4476244

CCC(C)OC(=O)CC(=O)CCCCCCCCCCCCC(=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ LMNA P02545 2/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PAM P19021 2/20 0.35
▸ PPARG P37231 6/20 0.34
▸ PPARD Q03181 6/20 0.34
▸ PPARA Q07869 6/20 0.34
▸ GPR84 Q9NQS5 5/20 0.34
▸ HDAC11 Q96DB2 5/20 0.34
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TLR2 O60603 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ PTPN1 P18031 2/20 0.34

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
SCHEMBL5928921 0.88 TSHR (0.46) FAAHCNR1CNR2EPHX2KMT2A
SCHEMBL155564 0.88 FAAH (0.44) FAAHCNR1CNR2EPHX2MAPT
SCHEMBL9068448 0.85 TSHR (0.47) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL4737199 0.84 EGLN1 (0.45) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL11391598 0.83 KMT2A (0.41) FAAHCNR1CNR2EPHX2KMT2A
SCHEMBL151702 0.82 FAAH (0.40) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL27978988 0.80 FAAH (0.47) FAAHCNR1CNR2EPHX2LMNA
Hydrochloric Acid SCHEMBL10612981 0.80 FAAH (0.39) FAAHCNR1CNR2EPHX2LMNA
Ethane SCHEMBL15437842 0.80 FAAH (0.39) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL28875951 0.80 MAPT (0.39) FAAHCNR1CNR2EPHX2LMNA

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-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 — — US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 — — US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 — — US disclosed
US-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2006-07-06 — — US disclosed
US-6811595-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-11-02 — — US disclosed
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-04-01 — — 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 (3 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-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same RPP30, INO80, CDK20 FAAH 4660/4885CNR1 552/4885CNR2 2127/4885
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same CCNI, INO80, CCNY FAAH 4798/4885CNR1 1749/4885CNR2 2881/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 FAAH 4589/4885CNR1 598/4885CNR2 2046/4885

“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.