SCHEMBL1200658

SCHEMBL1200658

CC(C)(C)[Si](C)(C)Oc1ccccc1C(O)C#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
MAOA P21397 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24631594 0.85 HTR1A (0.33) TSHRHTR1AADRA2AADRA2BMAOA
SCHEMBL30134688 0.85 HTR1A (0.33) TSHRHTR1AADRA2AADRA2BMAOA
SCHEMBL1200839 0.84 TSHR (0.41) TSHRALDH1A1
SCHEMBL30856497 0.81 HTR2A (0.32) ALDH1A1
SCHEMBL7438530 0.81 HTR2A (0.32) ALDH1A1
SCHEMBL15242458 0.77 P2RX3 (0.43) TSHRADRA2AADRA2BHTR2BALDH1A1
SCHEMBL1201034 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL22144397 0.77 TSHR (0.47) TSHRALDH1A1
SCHEMBL1199570 0.77 TSHR (0.47) TSHRALDH1A1
SCHEMBL16113094 0.76 P2RX3 (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 TSHR 4501/4885HTR1A 3262/4885ADRA2A 2456/4885

“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.