SCHEMBL2407567

SCHEMBL2407567

CCOc1cc(COCC(C)OCC)ccc1B(O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
LMNA P02545 1/20 0.34
CALM1 P0DP23 3/20 0.33
LIPE Q05469 1/20 0.33
TSHR P16473 3/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2407563 1.00 ENPP2 (0.34) ENPP2LMNACALM1LIPETSHR
SCHEMBL2406019 0.90 LMNA (0.40) ENPP2LMNACALM1TSHRHTT
SCHEMBL2406020 0.90 LMNA (0.40) ENPP2LMNACALM1TSHRHTT
SCHEMBL2405920 0.89 ENPP2 (0.33) ENPP2LMNALIPETSHRHTT
SCHEMBL2405916 0.89 ENPP2 (0.33) ENPP2LMNALIPETSHRHTT
SCHEMBL2404436 0.82 TSHR (0.30) TSHRALDH1A1
SCHEMBL2404443 0.82 TSHR (0.30) TSHRALDH1A1
SCHEMBL2407915 0.81 KMT2A (0.33) LMNACALM1TSHRHTTALDH1A1
SCHEMBL2407919 0.81 KMT2A (0.33) LMNACALM1TSHRHTTALDH1A1
SCHEMBL2407501 0.73 ALDH1A1 (0.38) LMNATSHRHTTALDH1A1KDM4E

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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009053452-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-30 WO 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 (1 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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 ENPP2 3113/4885LMNA 3156/4885CALM1 1092/4885

“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.