SCHEMBL1201131

SCHEMBL1201131

N#CC(OOc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
ALPG P10696 2/20 0.40
SLC6A4 P31645 1/20 0.38
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MITF O75030 1/20 0.35
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL27836924 0.84 SLC6A4 (0.45) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1200416 0.83 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TRPA1KMT2A
SCHEMBL1200707 0.83 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1199402 0.81 TSHR (0.36) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1199792 0.79 TRPA1 (0.37) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1201037 0.79 LTA4H (0.47) ALDH1A1SMN1; SMN2HPGDTSHRKMT2A
SCHEMBL1200937 0.75 SCN4A (0.41) LMNAALDH1A1SMN1; SMN2NPSR1SLC6A4
SCHEMBL1201168 0.74 TSHR (0.42) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1200527 0.72 SLC6A4 (0.40) ALDH1A1SMN1; SMN2HPGDSLC6A4TRPA1
SCHEMBL1199568 0.72 TRPA1 (0.43) LMNAALDH1A1SMN1; SMN2HPGDHTT

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 LMNA 441/4885ALDH1A1 129/4885SMN1; SMN2 2884/4885

“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.