SCHEMBL2844260

SCHEMBL2844260

C[Si](C)(C)O[CH]c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
RELA Q04206 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CHAT P28329 1/20 0.33
GRM5 P41594 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7207745 0.78 TDP1 (0.33) TRPA1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL770392 0.76 MAOB (0.44) TRPA1ALDH1A1TSHRMAOBMEN1
SCHEMBL8 0.70
SCHEMBL10437667 0.70 CYP19A1 (0.39) ALDH1A1TSHRLMNAL3MBTL1MEN1
SCHEMBL6558335 0.69 ALDH1A1 (0.45) TRPA1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL8996779 0.69 ALOX15 (0.39) TRPA1ALDH1A1MAOBLMNAMEN1
SCHEMBL29154220 0.67 MEN1 (0.34) TRPA1ALDH1A1TSHRMAOBCYP2A6
SCHEMBL10682846 0.67 MAOB (0.44) TRPA1ALDH1A1TSHRMAOBMEN1
SCHEMBL11419990 0.65 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL213326 0.65 LMNA (0.46) ALDH1A1LMNAL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63090534-A None JP disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
CN-103249484-B Asymmetric hydrogenation catalyst and utilize it to prepare the method for optically active carbonyls TAKASAGO INTERNATIONAL CORP. (JP) 2015-09-30 CN disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
CN-102458659-B Asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD 2014-07-09 CN disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 EP disclosed
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
CN-102458659-A Asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD 2012-05-16 CN disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
JP-S6390534-A ALKALI-SOLUBLE LADDER SILICONE POLYMER HITACHI LTD 1988-04-21 JP disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed
US-3994939-A BACTERICIDES PFIZER INC. (US) 1976-11-30 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 (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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 TRPA1 80/4885ALDH1A1 223/4885TSHR 4833/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 TRPA1 96/4885ALDH1A1 122/4885TSHR 4664/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 TRPA1 267/4885ALDH1A1 79/4885TSHR 4759/4885

“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.