SCHEMBL3065052

SCHEMBL3065052

C=CCOc1cc(CCl)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 10/20 0.39
CYP2D6 P10635 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
AR P10275 1/20 0.38
PTGS1 P23219 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL4523312 0.87 GAA (0.41) MAPTLMNAALDH1A1CYP2D6POLB
SCHEMBL4879810 0.82 ALDH1A1 (0.56) MAPTLMNAALDH1A1CYP2D6POLB
SCHEMBL3069648 0.81 ADRA2A (0.42) MAPTLMNANPSR1ALDH1A1CYP2D6
SCHEMBL2525907 0.80 HTR2C (0.42) MAPTLMNAALDH1A1CYP2D6MEN1
SCHEMBL25322559 0.79 GAA (0.54) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL7816047 0.79 HPGD (0.51) MAPTLMNAALDH1A1POLBGAA
SCHEMBL2523355 0.78 GAA (0.45) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL22215813 0.77 ALDH1A1 (0.50) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL14206692 0.77 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL21728215 0.76 MAPT (0.47) MAPTALDH1A1GAATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885LMNA 3190/4885NPSR1 1020/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885LMNA 3190/4885NPSR1 1020/4885

“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.