SCHEMBL3673620

SCHEMBL3673620

CCC(=O)OC1=CC(C)CCCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ESR1 P03372 2/20 0.36
HIF1A Q16665 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.31
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL3673617 1.00 KMT2A (0.36) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL3673615 1.00 KMT2A (0.36) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL3673618 1.00 KMT2A (0.36) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL3870184 1.00 KMT2A (0.36) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL3870186 1.00 KMT2A (0.36) KMT2AESR1HIF1ARECQLSMN1; SMN2
SCHEMBL3869888 0.88 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALOX15MEN1ALDH1A1
SCHEMBL3863799 0.88 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALOX15MEN1ALDH1A1
SCHEMBL3869890 0.88 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALOX15MEN1ALDH1A1
SCHEMBL3869884 0.88 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALOX15MEN1ALDH1A1
SCHEMBL3863797 0.88 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALOX15MEN1ALDH1A1

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-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
EP-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 EP disclosed
US-7846701-B2 Method for preparing optically active compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-07 US disclosed
US-7728177-B2 Optically active 3-methylcyclopentadecanone and method for producing intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-01 US disclosed
US-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-05-14 US disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
EP-1884509-A1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF Takasago International Corporation (JP) 2008-02-06 EP disclosed
US-20070292925-A1 Method for Preparing Optically Active Compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 EP disclosed
EP-1813679-A1 METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND Takasago International Corporation (JP) 2007-08-01 EP 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 (2 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-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite CPN1, CAPN1, MCOLN1 KMT2A 2034/4885ESR1 2671/4885HIF1A 4680/4885
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 KMT2A 553/4885ESR1 1529/4885HIF1A 4382/4885

“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.