SCHEMBL1268522

SCHEMBL1268522

O=Cc1ccccc1CCOC(=O)CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 2/20 0.36
BLM P54132 1/20 0.36
TYR P14679 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAPT P10636 2/20 0.34
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALOX5 P09917 2/20 0.33
CYP4F2 P78329 1/20 0.33

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
SCHEMBL1268573 0.84 PTGDR2 (0.39) ALDH1A1SMN1; SMN2HPGDHTTTDP1
SCHEMBL6696866 0.78 TDP1 (0.54) ALDH1A1SMN1; SMN2TDP1PTGDR2LMNA
SCHEMBL293192 0.76 FOLH1 (0.53) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL30379181 0.76 FOLH1 (0.53) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL1268521 0.75 TDP1 (0.38) ALDH1A1SMN1; SMN2TDP1MEN1LMNA
SCHEMBL10886670 0.74 LMNA (0.50) ALDH1A1SMN1; SMN2HPGDHTTTDP1
SCHEMBL1200782 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDHTTTDP1
SCHEMBL2425935 0.73 TDP1 (0.63) ALDH1A1SMN1; SMN2HPGDTDP1MEN1
SCHEMBL3174502 0.72 CYP4F2 (0.65) ALDH1A1SMN1; SMN2TDP1MEN1LMNA
SCHEMBL4644461 0.71 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314071-B2 Bioactive molecules from co-cultivation of microbes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 US disclosed
US-8026383-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives BASF SE (DE) 2011-09-27 US disclosed
US-20110046411-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES CIBA SPECIALTY CHEMICALS CORPORATION 2011-02-24 US disclosed
US-7855302-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino-3.5-dihydroxyhepanoic acid derivatives and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2010-12-21 US disclosed
US-20100249051-A1 Bioactive Molecules from Co-Cultivation of Microbes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-30 US disclosed
US-7692034-B2 Process for the preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives via 6-cyano syn 3,5-dihydroxy hexanoic acid derivatives TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-04-06 US disclosed
EP-2161250-A1 Process for the preparatiom of 7-amino-syn-3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2010-03-10 EP disclosed
EP-1404642-B1 Process for the preparatiom of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2010-02-17 EP disclosed
WO-2009117036-A2 BIOACTIVE MOLECULES FROM CO-CULTIVATION OF MICROBES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-24 WO disclosed
US-7504532-B2 Process for the preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-17 US disclosed
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation BASF SE (DE) 2004-12-02 US disclosed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
EP-1406860-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES Teva Pharmaceutical Industries Limited (IL) 2004-04-14 EP disclosed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP disclosed
EP-1404642-A2 SYNTHESIS AND INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-04-07 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO disclosed
WO-2003004456-A1 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES VIA 6-CYANO SYN 3,5-DIHYDROXY HEXANOIC ACID DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 WO disclosed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 WO disclosed
WO-2003004455-A2 PROCESS FOR THE PREPARATION OF 7-AMINO SYN 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, INTERMEDIATES THEREOF AND METHODS FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-16 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 (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-20110046411-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES HMGCR, SREBF1, LCAT ALDH1A1 1204/4885SMN1; SMN2 4494/4885HPGD 2434/4885
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 ALDH1A1 490/4885SMN1; SMN2 4767/4885HPGD 996/4885
US-20100249051-A1 Bioactive Molecules from Co-Cultivation of Microbes BMP4, BMP2, LSS ALDH1A1 3091/4885SMN1; SMN2 4871/4885HPGD 491/4885
US-20040242916-A1 Process for preparation of 7-amino syn 3,5-dihydroxy heptanoic acid derivatives, intermediates thereof and methods for their preparation HMGCR, DHCR7, CYP8B1 ALDH1A1 2643/4885SMN1; SMN2 2424/4885HPGD 754/4885

“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.