SCHEMBL3583903

SCHEMBL3583903

CCCCC(=O)NCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 4/20 0.65
EPHX2 P34913 12/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
P2RX7 Q99572 1/20 0.44

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
Hydrochloric Acid SCHEMBL4376537 0.98 KMT2A (0.63) KMT2AMEN1EPHX2L3MBTL1ALDH1A1
SCHEMBL13652574 0.83 KMT2A (0.68) KMT2AMEN1EPHX2L3MBTL1ALDH1A1
SCHEMBL8338683 0.76 MEN1 (0.67) KMT2AMEN1EPHX2L3MBTL1ALDH1A1
SCHEMBL1576896 0.76 EPHX2 (0.97) KMT2AMEN1EPHX2ALDH1A1
SCHEMBL12422573 0.76 EPHX2 (0.59) KMT2AMEN1EPHX2
SCHEMBL15597244 0.76 EPHX2 (0.61) KMT2AMEN1EPHX2L3MBTL1ALDH1A1
SCHEMBL12931880 0.75 EPHX2 (1.00) EPHX2ALDH1A1
SCHEMBL10532396 0.73 EPHX2 (0.90) KMT2AEPHX2ALDH1A1
SCHEMBL14341838 0.73 KMT2A (0.63) KMT2AMEN1EPHX2L3MBTL1ALDH1A1
SCHEMBL19966024 0.73 EPHX2 (0.77) KMT2AMEN1EPHX2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561749-B1 TNF-Alpha production inhibitors for the treatment of autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 EP claimed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 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
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-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

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-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 KMT2A 4142/4885MEN1 3379/4885EPHX2 1420/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 KMT2A 4200/4885MEN1 4587/4885EPHX2 2354/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 KMT2A 4173/4885MEN1 4573/4885EPHX2 2296/4885

“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.