SCHEMBL194130

SCHEMBL194130

N#C[C@H](O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
AOC3 Q16853 1/20 0.42
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 2/20 0.40
ACP3 P15309 1/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL29501942 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL31026111 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL194129 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL29397364 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL1628799 1.00 TSHR (0.50) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6061496 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6062356 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL6061494 0.92 ALDH1A1 (0.45) TSHRALDH1A1ADRB2ADRB1AOC3
SCHEMBL13937393 0.84 TSHR (0.61) TSHRALDH1A1TRPA1KDM4EMAPT
SCHEMBL136204 0.80 ADRB2 (0.43) TSHRALDH1A1ADRB2ADRB1AOC3

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2092060-B1 R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS DSM IP ASSETS BV (NL) 2014-01-22 EP claimed
CN-118308316-A Biocatalysis asymmetric reaction reductase and application thereof 湖州师范学院 2024-07-09 CN disclosed
CN-111057696-B Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol 华东理工大学 2022-11-11 CN disclosed
CN-112852790-B Plant nitrilase chimeric enzyme mutant, coding gene and application thereof 浙江工业大学 2022-04-29 CN disclosed
CN-112626057-B Chimeric plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2022-03-08 CN disclosed
CN-112852790-A Plant nitrilase chimeric enzyme mutant, coding gene and application thereof 浙江工业大学 2021-05-28 CN disclosed
CN-112626057-A Chimeric plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2021-04-09 CN disclosed
CN-110714002-B Plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2021-03-26 CN disclosed
CN-111057696-A Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol 华东理工大学 2020-04-24 CN disclosed
CN-110714002-A Plant nitrilase mutant, coding gene and application thereof 浙江工业大学 2020-01-21 CN disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-20020052039-A1 Process for preparing an enzyme extract CLARIANT GMBH 2002-05-02 US disclosed
US-20020052523-A1 Process for preparing optically active cyanohydrins and secondary products CLARIANT GMBH 2002-05-02 US disclosed
US-20020006646-A1 Enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin NIPPON SHOKUBAI CO., LTD. 2002-01-17 US disclosed
EP-1160235-A2 A method for producing alpha-hydroxycarboxylic acid Nippon Shokubai Co., Ltd. (JP) 2001-12-05 EP disclosed
EP-1160329-A2 An enzyme reaction method and a method for enzymatically producing an optically active cyanohydrin Nippon Shokubai Co., Ltd. (JP) 2001-12-05 EP disclosed
US-20010041359-A1 Process for the preparation of optically and chemically highly pure (R) - or (S) -alpha- hydroxycarboxylic acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2001-11-15 US disclosed
EP-0449648-B1 Process for producing R(-)-mandelic acid and derivatives thereof NITTO CHEMICAL INDUSTRY CO LTD (JP) 1999-05-12 EP disclosed
US-5223416-A Subjecting mandelonitrile or derivative thereof, or mixture of prussic acid and benzaldehyde or derivative thereof to stereospecific hydrolysis by microorgansim NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-29 US disclosed
EP-0449648-A2 Process for producing R(-)-mandelic acid and derivatives thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-10-02 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 (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-20020052523-A1 Process for preparing optically active cyanohydrins and secondary products DOHH, OGDH, AOX1 TSHR 3944/4885ALDH1A1 159/4885ADRB2 3346/4885

“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.