SCHEMBL88790

SCHEMBL88790

CCc1cc(OCCCOC)cc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 7/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
REN P00797 2/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL88985 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EGAATSHRCYP1A2
SCHEMBL24991935 0.83 ALDH1A1 (0.45) ALDH1A1HTTKDM4ETSHRMAPK1
SCHEMBL13154771 0.83 HTT (0.39) ALDH1A1HTTKDM4ETSHRL3MBTL1
SCHEMBL24991857 0.82 TDP1 (0.46) ALDH1A1HTTKDM4EGAATSHR
SCHEMBL88959 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGAACYP1A2MAPK1
SCHEMBL22861119 0.79 PTGS2 (0.41) ALDH1A1TSHRMAPK1
SCHEMBL13490763 0.78 MAPT (0.46) ALDH1A1HTTKDM4EGAACYP1A2
SCHEMBL89743 0.78 ALDH1A1 (0.46) ALDH1A1HTTKDM4ETSHRL3MBTL1
SCHEMBL12052568 0.77 MAPT (0.43) ALDH1A1HTTKDM4EGAACYP1A2
SCHEMBL15087926 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EGAATSHRCYP1A2

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885HTT 943/4885KDM4E 1650/4885

“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.