SCHEMBL88985

SCHEMBL88985

CCc1cc(CC)cc(OCCCOC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.44
MAPK1 P28482 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.38
F2 P00734 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
PLA2G2A P14555 1/20 0.33
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL15087926 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL88959 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL13490763 0.89 MAPT (0.46) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL12052568 0.87 MAPT (0.43) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL88961 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL10181841 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL88790 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL88781 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL13131319 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EGAAMAPK1CYP2D6
SCHEMBL88789 0.82 KDM4E (0.42) ALDH1A1KDM4EGAAMAPK1CYP2D6

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 38/4885KDM4E 1650/4885GAA 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.