SCHEMBL1677509

SCHEMBL1677509

CC(C)(C)OC(=O)CCNCCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
BCHE P06276 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.39
EPHX2 P34913 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MLYCD O95822 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL25762505 0.87 EPHX1 (0.40) EPHX1MEN1MAPTKMT2AATM
SCHEMBL27617747 0.85 EPHX2 (0.51) EPHX1MEN1MAPTKMT2AATM
Hydrochloric Acid SCHEMBL1678497 0.84 EPHX2 (0.50) EPHX1MEN1MAPTKMT2AATM
SCHEMBL15355129 0.83 MEN1 (0.50) EPHX1MEN1MAPTKMT2AATM
SCHEMBL8349429 0.81 MEN1 (0.48) MEN1MAPTKMT2AATMHPGD
SCHEMBL3485766 0.81 EPHX2 (0.40) MEN1KMT2AGAAEPHX2CTSK
SCHEMBL23170001 0.81 LMNA (0.40) EPHX1MEN1MAPTKMT2AATM
SCHEMBL7433510 0.80 MEN1 (0.44) EPHX1MEN1MAPTKMT2AATM
SCHEMBL16086854 0.80 KMT2A (0.40) EPHX1KMT2AGAAEPHX2CTSS
SCHEMBL4800701 0.80 CYP1A2 (0.44) EPHX1MEN1MAPTKMT2AATM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 EP disclosed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20100016380-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-1743885-B1 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-11 EP disclosed
US-7491739-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-7345064-B2 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP disclosed
US-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-26 US disclosed
US-20060229342-A1 TNF-a production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-12 US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 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 (7 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-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes TNFRSF1A, FFAR4, NGFR EPHX1 1045/4885MEN1 3379/4885MAPT 4806/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX1 1375/4885MEN1 4224/4885MAPT 4835/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX1 1104/4885MEN1 4106/4885MAPT 4869/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 EPHX1 1865/4885MEN1 4587/4885MAPT 4340/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 EPHX1 1840/4885MEN1 4573/4885MAPT 4358/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX1 1211/4885MEN1 4433/4885MAPT 4862/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 EPHX1 2359/4885MEN1 3108/4885MAPT 4430/4885

“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.