SCHEMBL12349176

SCHEMBL12349176

COCC(CN1CCCC1)OCCN

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 2/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
ACE2 Q9BYF1 1/20 0.30
ABCB1 P08183 2/20 0.30
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 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
SCHEMBL12349177 0.84 POLB (0.40) KDM4EPOLBATMMAPTCYP2D6
SCHEMBL12349161 0.81 POLB (0.38) KDM4EPOLBATMMAPTCYP2D6
SCHEMBL23706773 0.79 ATM (0.40) KDM4EPOLBATMMAPTCYP2D6
SCHEMBL1220604 0.77 MEN1 (0.41) KDM4EPOLBATMMAPTCYP2D6
SCHEMBL16826854 0.76 LPAR6 (0.33)
SCHEMBL12349160 0.76 KDM4E (0.32) KDM4EPOLBATMMAPTTSHR
SCHEMBL17519113 0.76 LTA4H (0.37) POLBATMMAPTKMT2AMEN1
SCHEMBL20755088 0.75 HTT (0.32)
Hydrochloric Acid SCHEMBL3510318 0.74 DNM1 (0.37)
SCHEMBL20755381 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 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 (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-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC KDM4E 4419/4885POLB 4742/4885ATM 4808/4885
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC KDM4E 4419/4885POLB 4742/4885ATM 4808/4885

“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.