SCHEMBL5524550

SCHEMBL5524550

O=[N+]([O-])C[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CYP19A1 P11511 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
CPA1 P15085 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5531247 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTCTSV
SCHEMBL5531232 0.81 KMT2A (0.50) ALDH1A1MEN1KMT2ACPA1LMNA
SCHEMBL7148513 0.79 NFKB1 (0.48) MEN1KMT2AMAPTF2F10
SCHEMBL9070525 0.79 NFKB1 (0.48) MEN1KMT2AMAPTF2F10
SCHEMBL4376651 0.79 POLB (0.43) MEN1KMT2AF2F10PRSS1
SCHEMBL9162464 0.77 POLB (0.41) MEN1KMT2AF2F10PRSS1
SCHEMBL27851541 0.77 F2 (0.47) MEN1KMT2AF2F10PRSS1
SCHEMBL13612580 0.77 SMPD1 (0.48) ALDH1A1MEN1KMT2AMAPTF2
SCHEMBL9360982 0.76 F2 (0.49) ALDH1A1MEN1KMT2AF2F10
SCHEMBL9360975 0.76 F2 (0.49) ALDH1A1MEN1KMT2AF2F10

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 ALDH1A1 29/4885MEN1 3729/4885KMT2A 3532/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 ALDH1A1 29/4885MEN1 3729/4885KMT2A 3532/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 ALDH1A1 24/4885MEN1 3593/4885KMT2A 3443/4885

“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.