Sugi Predict

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SCHEMBL3528053

SCHEMBL3528053

CCCCOCCCOCCCOCCCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.35
▸ ALOX5 P09917 5/20 0.35
▸ PTGES O14684 4/20 0.35
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL714296 0.96 MAPK1 (0.36) BCHEALOX5PTGESPPARGPPARA
SCHEMBL698638 0.96 BCHE (0.38) BCHEALOX5PTGESPPARGPPARA
SCHEMBL699055 0.93 ALDH1A1 (0.34) MAPK1KDM4ETP53TDP1
SCHEMBL697335 0.93 MAPK1 (0.36) BCHEMAPK1KDM4ECYP3A4TP53
SCHEMBL697687 0.92 CYP3A4 (0.32) MAPK1CYP3A4CYP2D6
SCHEMBL697258 0.90 MAPK1 (0.38) MAPK1OPRD1KDM4ECYP1A2CYP3A4
SCHEMBL697702 0.90 MAPK1 (0.43) MAPK1OPRD1CYP1A2CYP3A4CYP2D6
SCHEMBL699093 0.87 ALDH1A1 (0.40) MAPK1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL697568 0.87 MEN1 (0.34) MAPK1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL697545 0.87 ALDH1A1 (0.33) MAPK1KDM4ESMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885ALOX5 4159/4885PTGES 1665/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885ALOX5 4159/4885PTGES 1665/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885ALOX5 4159/4885PTGES 1665/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885ALOX5 4159/4885PTGES 1665/4885

“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.