SCHEMBL89377

SCHEMBL89377

CCc1cc(OCCCOC)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
PDIA6 Q15084 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
PLA2G2A P14555 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
SCHEMBL12925519 0.77 CYP3A4 (0.43) HPGDMAPTCYP1A2ALDH1A1KDM4E
SCHEMBL11942310 0.76 REN (0.37) HPGDMAPK1ALDH1A1KDM4E
SCHEMBL13566683 0.75 MCL1 (0.39) MAPTL3MBTL1MAPK1MCL1PDIA6
SCHEMBL8251597 0.75 GPR84 (0.42) HPGDMAPTCYP1A2CYP2D6MAPK1
SCHEMBL16515501 0.74 ALDH1A1 (0.44) HPGDMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL20235296 0.73 PPARD (0.43) HPGDMAPTL3MBTL1ATMCYP1A2
SCHEMBL13131327 0.73 SMN1; SMN2 (0.35) HPGDMAPTL3MBTL1ATMCYP1A2
SCHEMBL2380557 0.72 THRB (0.43) HPGDMAPTL3MBTL1MCL1THRA
SCHEMBL88985 0.72 ALDH1A1 (0.47) HPGDMAPTL3MBTL1ATMCYP1A2
SCHEMBL11942309 0.71 TAS1R3 (0.34) ALDH1A1KDM4E

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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 HPGD 723/4885MAPT 1089/4885L3MBTL1 3031/4885

“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.