SCHEMBL258592

SCHEMBL258592

O=C(O)[C@H](O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL258742 1.00 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL10668707 1.00 ALDH1A1 (0.51) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL3096665 0.86 ALDH1A1 (0.55) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL10687014 0.82 ALDH1A1 (0.54) ALDH1A1TSHRCYP1A2MEN1KMT2A
SCHEMBL8977587 0.82 ALPI (0.51) ALDH1A1TSHRCYP1A2
SCHEMBL8986747 0.82 POLB (0.51) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL15226929 0.82 POLB (0.51) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL43104 0.82 ALPI (0.51) ALDH1A1TSHRCYP1A2
SCHEMBL8986743 0.82 POLB (0.51) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL7424432 0.82 POLB (0.51) ALDH1A1TSHRMEN1KMT2APOLB

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
US-4727183-A Process for the asymmetric synthesis of chiral α-hydroxy-2-nitrobenzenepropanoic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1988-02-23 US claimed
US-4614806-A Process for the asymmetric synthesis of chiral indoline-2-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-30 US claimed
US-8058471-B2 Method for producing optically active hydroxycarboxylic acid derivatives or salts thereof KANEKA CORPORATION (JP) 2011-11-15 US disclosed
US-8058471-B2 Method for producing optically active hydroxycarboxylic acid derivatives or salts thereof KANEKA CORPORATION (JP) 2011-11-15 US disclosed
US-8058471-B2 Method for producing optically active hydroxycarboxylic acid derivatives or salts thereof KANEKA CORPORATION (JP) 2011-11-15 US disclosed
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF KANEKA CORPORATION (JP) 2010-07-29 US disclosed
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF KANEKA CORPORATION (JP) 2010-07-29 US disclosed
US-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF KANEKA CORPORATION (JP) 2010-07-29 US disclosed
EP-2053032-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Kaneka Corporation (JP) 2009-04-29 EP disclosed
EP-2053032-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Kaneka Corporation (JP) 2009-04-29 EP disclosed
US-4727183-A Process for the asymmetric synthesis of chiral α-hydroxy-2-nitrobenzenepropanoic acid AMERICAN HOME PRODUCTS CORPORATION (US) 1988-02-23 US disclosed
US-4644081-A Process for the asymmetric synthesis of chiral indoline-2-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1987-02-17 US disclosed
US-4614806-A Process for the asymmetric synthesis of chiral indoline-2-carboxylic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-30 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-20100191011-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXYCARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF DHPS, HAAO, HCAR2 ALDH1A1 137/4885TSHR 4310/4885CYP1A2 826/4885

“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.