SCHEMBL88789

SCHEMBL88789

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.37
F2 P00734 1/20 0.35
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GGPS1 O95749 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 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
SCHEMBL88781 0.83 ALDH1A1 (0.43) KDM4EALDH1A1GAAMAPK1L3MBTL1
SCHEMBL88985 0.82 ALDH1A1 (0.47) KDM4EALDH1A1GAAF2MAPK1
SCHEMBL88959 0.80 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPK1L3MBTL1
SCHEMBL89739 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HRH3L3MBTL1POLB
SCHEMBL12052568 0.78 MAPT (0.43) KDM4EALDH1A1GAAF2MAPK1
SCHEMBL88961 0.77 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPK1CYP1A2
SCHEMBL13490763 0.76 MAPT (0.46) KDM4EALDH1A1GAAF2MAPK1
SCHEMBL10181841 0.75 ALDH1A1 (0.40) KDM4EALDH1A1GAAF2MAPK1
SCHEMBL15087926 0.74 ALDH1A1 (0.42) KDM4EALDH1A1GAAF2MAPK1
SCHEMBL21586939 0.74 HSPA5 (0.39) CYP1A2PTGS2

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 KDM4E 1650/4885ALDH1A1 38/4885GAA 309/4885

“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.