SCHEMBL909706

SCHEMBL909706

COC(=O)CC(=O)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 6/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1015355 0.98 KMT2A (0.42) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL28055530 0.94 MGAM (0.39) EPHX1HPGDKMT2AEPHX2ALDH1A1
SCHEMBL3956402 0.90 MGAM (0.42) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL10584364 0.86 EPHX1 (0.44) EPHX1HPGDKMT2AEPHX2POLB
SCHEMBL8099254 0.85 KMT2A (0.50) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL106265 0.85 KMT2A (0.50) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL14606391 0.85 KMT2A (0.50) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL18322599 0.85 KMT2A (0.50) EPHX1HPGDKMT2AEPHX2KDM4E
SCHEMBL3656797 0.85 TSHR (0.48) EPHX1HPGDKMT2AEPHX2KDM4E
Hydrochloric Acid SCHEMBL27692491 0.83 KMT2A (0.48) EPHX1HPGDKMT2AEPHX2KDM4E

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-5194671-A Process for the preparation of β-ketocarboxylic acid esters WACKER-CHEMIE GMBH (DE) 1993-03-16 US claimed
US-9579528-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2017-02-28 US disclosed
US-8841488-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2014-09-23 US disclosed
US-20140030204-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2014-01-30 US disclosed
CN-102007204-B Ketones as perfuming ingredients FIRMENICH & CIE 2013-01-23 CN disclosed
EP-2268779-B1 KETONES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-01-02 EP disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
CN-102007204-A Ketones as perfuming ingredients FIRMENICH & CIE 2011-04-06 CN disclosed
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-01-20 US disclosed
EP-2268779-A1 KETONES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2011-01-05 EP disclosed
WO-2009128026-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2009-10-22 WO disclosed
US-6972304-B2 Aqueous ink compositions XEROX CORPORATION (US) 2005-12-06 US disclosed
US-6906118-B2 Phase change ink compositions XEROX CORPORATION (US) 2005-06-14 US disclosed
US-20030105185-A1 Phase change ink compositions XEROX CORPORATION 2003-06-05 US disclosed
US-20030079644-A1 Aqueous ink compositions XEROX CORPORATION 2003-05-01 US disclosed
US-5198322-A Positively operating radiation-sensitive mixture containing a polyfunctional α-diazo-β-keto ester and radiation-sensitive recording material containing this mixture HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-30 US disclosed
US-5194671-A Process for the preparation of β-ketocarboxylic acid esters WACKER-CHEMIE GMBH (DE) 1993-03-16 US disclosed
US-4996301-A Polyfunctional α-diazo-β-keto esters and their use in light-sensitive compositions HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-26 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 (3 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-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR EPHX1 1955/4885HPGD 680/4885KMT2A 2894/4885
US-20140030204-A1 KETONES AS PERFUMING INGREDIENTS C5, CBR3, C9 EPHX1 2107/4885HPGD 2163/4885KMT2A 1237/4885
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS CBR3, CBR1, C5 EPHX1 447/4885HPGD 719/4885KMT2A 1571/4885

“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.