SCHEMBL5530908

SCHEMBL5530908

O=Cc1cc(O)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
TYR P14679 2/20 0.40
EGFR P00533 2/20 0.40
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ERN1 O75460 3/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6898737 0.83 SRC (0.44) SRCTYREGFRALDH5A1ABAT
SCHEMBL29951036 0.83 SRC (0.44) SRCTYREGFRALDH5A1ABAT
SCHEMBL5527536 0.83 TYR (0.40) TYRALDH5A1ABATESR1ESR2
SCHEMBL25563990 0.82 SRC (0.40) SRCTYREGFRALDH5A1ABAT
SCHEMBL28063924 0.79 EGFR (0.61) SRCEGFRKDM4ETDP1ERN1
SCHEMBL3429449 0.79 TYR (0.46) SRCTYRMAPTTDP1ALOX5
SCHEMBL16273309 0.78 ERN1 (0.57) SRCEGFRALDH1A1TDP1TRIM24
SCHEMBL15359783 0.78 SRC (0.40) SRCEGFRMAPTKDM4EALDH1A1
SCHEMBL26655793 0.78 ERN1 (0.57) SRCEGFRALDH1A1POLBTDP1
SCHEMBL12315447 0.76 SRC (0.39) SRCEGFRALDH5A1ABATKDM4E

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-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 EP 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 SRC 4664/4885TYR 83/4885EGFR 4111/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 SRC 4664/4885TYR 83/4885EGFR 4111/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 SRC 4564/4885TYR 63/4885EGFR 4168/4885

“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.