SCHEMBL698136

SCHEMBL698136

COc1ccc(COC(=O)OCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
MMP9 P14780 2/20 0.48
MMP1 P03956 1/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
FFAR1 O14842 1/20 0.46
LDHA P00338 1/20 0.46
ATM Q13315 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
P2RX4 Q99571 1/20 0.46
MAPT P10636 1/20 0.45
F2RL1 P55085 1/20 0.45

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
SCHEMBL292834 0.91 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL6644102 0.84 LTA4H (0.58) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL22028109 0.84 LTA4H (0.58) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL13034049 0.84 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL697621 0.84 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL6366124 0.84 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL697620 0.81 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL10499968 0.81 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL722902 0.80 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL3758807 0.80 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
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
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN 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 ALDH1A1 617/4885HTT 1110/4885SMN1; SMN2 1394/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HTT 1110/4885SMN1; SMN2 1394/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HTT 1110/4885SMN1; SMN2 1394/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885HTT 1110/4885SMN1; SMN2 1394/4885

“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.