SCHEMBL2235091

SCHEMBL2235091

CC(CC1CCCO1)C1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1188983 0.86 SMN1; SMN2 (0.35) HPGDUSP2SMN1; SMN2TP53ALOX12
SCHEMBL5046890 0.81
SCHEMBL13398917 0.81
SCHEMBL26151429 0.80 HPGD (0.35) HPGDGAARAB9AL3MBTL1
SCHEMBL104428 0.79
SCHEMBL2741644 0.79
SCHEMBL104424 0.79
SCHEMBL23501582 0.76 KMT2A (0.34) HPGDUSP2SMN1; SMN2TP53ALOX12
SCHEMBL4983188 0.76 USP2 (0.40) HPGDUSP2SMN1; SMN2TP53ALOX12
SCHEMBL24306099 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US claimed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP claimed
EP-2531487-A1 ARYL BENZYLAMINE COMPOUNDS Novartis AG (CH) 2012-12-12 EP claimed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO claimed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US claimed
EP-2957572-A1 METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE POLYMER JSR Corporation (JP) 2015-12-23 EP disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
EP-2531487-A1 ARYL BENZYLAMINE COMPOUNDS Novartis AG (CH) 2012-12-12 EP disclosed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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 (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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 HPGD 2477/4885USP2 3022/4885SMN1; SMN2 1805/4885

“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.