SCHEMBL1269005

SCHEMBL1269005

CC(C)(C)CC(C)(C)c1cc(Cl)c(OC[C]=O)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL152840 0.77 CYP2C19 (0.51) SMN1; SMN2KMT2AHTTCYP2C19
SCHEMBL1267459 0.74 MAPT (0.42) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL97291 0.74 CA1 (0.41) CYP3A4MAPTPOLBALOX15HTT
SCHEMBL2472811 0.73 SHBG (0.37) CYP3A4SMN1; SMN2USP2MEN1ESR1
SCHEMBL15845321 0.72 CYP3A4 (0.58) CYP3A4SMN1; SMN2USP2MEN1ESR1
SCHEMBL3315142 0.71 MAOB (0.36) MEN1MAPTMAPK1KMT2APOLB
SCHEMBL2472809 0.71 SHBG (0.35) CYP3A4SMN1; SMN2USP2MEN1ESR1
SCHEMBL9070169 0.69 SHBG (0.50) CYP3A4SMN1; SMN2USP2MEN1ESR1
SCHEMBL28165578 0.67 ALDH1A1 (0.34) CYP3A4SMN1; SMN2USP2MEN1ESR1
SCHEMBL7090155 0.67 CYP2C19 (0.61) SMN1; SMN2MAPTMAPK1HTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
EP-2955171-A1 MANUFACTURE PROCESS OF N-(5-CHLOROSALICYLOYL)-8-AMINOCAPRYLIC ACID Novartis AG (CH) 2015-12-16 EP disclosed
EP-1838664-B1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES NOVARTIS AG (CH) 2015-07-15 EP disclosed
US-8461385-B2 Manufacture process of organic compounds NOVARTIS AG (CH) 2013-06-11 US disclosed
US-8394935-B2 Method for producing furanose derivative API CORPORATION (JP) 2013-03-12 US disclosed
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
WO-2006063821-A1 MANUFACTURE PROCESS OF N-SUBSTITUTED SALICYLAMIDES NOVARTIS AG (CH) 2006-06-22 WO disclosed
US-20050033086-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 BASF SE (DE) 2005-02-10 US disclosed
US-20050014954-A1 Pyrrole synthesis CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 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-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-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
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
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 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 (6 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 CYP3A4 49/4885SMN1; SMN2 4494/4885USP2 2563/4885
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 CYP3A4 98/4885SMN1; SMN2 4767/4885USP2 2300/4885
US-20100249051-A1 Bioactive Molecules from Co-Cultivation of Microbes BMP4, BMP2, LSS CYP3A4 237/4885SMN1; SMN2 4871/4885USP2 4389/4885
US-20050014954-A1 Pyrrole synthesis PNPO, PPOX, DHPS CYP3A4 177/4885SMN1; SMN2 3800/4885USP2 3109/4885
US-20050033086-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 HMGCR, DHCR7, HCAR3 CYP3A4 655/4885SMN1; SMN2 2523/4885USP2 2732/4885
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 CYP3A4 298/4885SMN1; SMN2 2424/4885USP2 3064/4885

“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.