SCHEMBL698129

SCHEMBL698129

O=C(NC1CCCCC1)OCCl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.56
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
EPHX2 P34913 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2A P08913 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 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
SCHEMBL13195220 1.00 EPHX1 (0.56) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12987593 0.98 EPHX1 (0.53) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12986967 0.94 EPHX1 (0.49) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12987295 0.90
SCHEMBL17342574 0.83 EPHX1 (0.59) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12988084 0.83 EPHX1 (0.44) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL12989450 0.82 EPHX1 (0.57) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL20350198 0.80 EPHX1 (0.60) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2802318 0.80 EPHX1 (0.60) EPHX1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL482520 0.80 EPHX1 (0.60) EPHX1RAB9AALDH1A1NPC1SMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
CN-103607888-A Substituted methyl formyl reagents and methods of using the same to improve physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PRIVATE LTD 2014-02-26 CN claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US disclosed
CN-103607888-A Substituted methyl formyl reagents and methods of using the same to improve physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PRIVATE LTD 2014-02-26 CN disclosed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP 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
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 (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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885RAB9A 777/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885RAB9A 777/4885ALDH1A1 617/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS EPHX1 808/4885RAB9A 4000/4885ALDH1A1 524/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885RAB9A 777/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885RAB9A 777/4885ALDH1A1 617/4885

“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.