SCHEMBL9979048

SCHEMBL9979048

C=CCCCCCCCCC(CC)OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
MAOB P27338 1/20 0.41
ATM Q13315 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 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
SCHEMBL9979054 0.86 PRKCA (0.50) L3MBTL1MAPTATMPRKCAPRKCD
SCHEMBL8446208 0.81 PRKCA (0.52) L3MBTL1ATMPRKCAPRKCDADRB2
SCHEMBL12537417 0.80 ALDH1A1 (0.49) L3MBTL1MAPTATMADRB2ADRB1
SCHEMBL17077052 0.76 ALDH1A1 (0.51) L3MBTL1MAPTATMALDH1A1KDM4E
SCHEMBL17083857 0.76 ALDH1A1 (0.51) L3MBTL1MAPTATMALDH1A1KDM4E
SCHEMBL27397163 0.75 L3MBTL1 (0.47) L3MBTL1MAPTMAOBATMADRB2
SCHEMBL1243807 0.75 MEN1 (0.56) LSSL3MBTL1MAPTATMADRB2
SCHEMBL17077050 0.75 FFAR1 (0.49) L3MBTL1MAPTATMALDH1A1KDM4E
SCHEMBL17077047 0.75 FFAR1 (0.49) L3MBTL1MAPTATMALDH1A1KDM4E
SCHEMBL17083853 0.75 FFAR1 (0.49) L3MBTL1MAPTATMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309715-B2 Camphor-derived β-amino alcohol compounds, method for manufacturing the same and asymmetric addition of organozinc to aldehydes using the same NATIONAL TSING HUA UNIVERSITY (TW) 2012-11-13 US disclosed
US-20110313159-A1 CAMPHOR-DERIVED BETA-AMINO ALCOHOL COMPOUNDS, METHOD FOR MANUFACTURING THE SAME AND ASYMMETRIC ADDITION OF ORGANOZINC TO ALDEHYDES USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 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-20110313159-A1 CAMPHOR-DERIVED BETA-AMINO ALCOHOL COMPOUNDS, METHOD FOR MANUFACTURING THE SAME AND ASYMMETRIC ADDITION OF ORGANOZINC TO ALDEHYDES USING THE SAME ADH1C, DDC, DCXR LSS 1922/4885L3MBTL1 3058/4885MAPT 1826/4885

“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.