SCHEMBL89077

SCHEMBL89077

COCCCOc1cc(C)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 11/20 0.68
MAPT P10636 11/20 0.68
HPGD P15428 7/20 0.68
CYP2C9 P11712 3/20 0.68
CYP2C19 P33261 3/20 0.68
MAPK1 P28482 3/20 0.68
POLB P06746 2/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
KMT2A Q03164 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
USP2 O75604 1/20 0.68
ALOX12 P18054 1/20 0.68
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 2/20 0.54
LMNA P02545 1/20 0.50

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
SCHEMBL13861973 0.91 L3MBTL1 (0.75) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL15597487 0.82 MAPT (0.63) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL13921776 0.81 MAPT (0.67) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL13791043 0.81 MAPT (0.62) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL89387 0.81 TSHR (0.62) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL22714464 0.81 L3MBTL1 (0.45) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL90673 0.81 KDM4E (0.51) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL21358331 0.81 MAPT (0.45) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL21331696 0.81 SYK (0.48) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL15087903 0.81 L3MBTL1 (0.45) L3MBTL1MAPTHPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 WO disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO 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 (3 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 L3MBTL1 3031/4885MAPT 1089/4885HPGD 723/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC L3MBTL1 4255/4885MAPT 1212/4885HPGD 343/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO L3MBTL1 4645/4885MAPT 1109/4885HPGD 225/4885

“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.