SCHEMBL1200527

SCHEMBL1200527

N#CC(OOc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
HTR1B P28222 5/20 0.39
SLC6A3 Q01959 1/20 0.39
NR2E1 Q9Y466 4/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNA3 P22001 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 3/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
CYP2D6 P10635 3/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34

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
SCHEMBL6915954 0.84 SLC6A2 (0.48) SLC6A4SLC6A2HTR1BSLC6A3NR2E1
SCHEMBL1199402 0.78 TSHR (0.36) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL1200937 0.78 SCN4A (0.41) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL10404525 0.75 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL1201131 0.72 LMNA (0.43) SLC6A4KDM4EALDH1A1HPGDCYP1A2
SCHEMBL4289478 0.71 HTR1B (0.59) SLC6A4HTR1BNR2E1KDM4EALDH1A1
SCHEMBL27903837 0.71 NR2E1 (0.49) SLC6A4SLC6A2HTR1BNR2E1KDM4E
SCHEMBL1200944 0.70 TDP1 (0.49) KDM4EALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL1199860 0.70 L3MBTL1 (0.38) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL1199792 0.69 TRPA1 (0.37) ALDH1A1HPGDTRPA1TSHRSMN1; SMN2

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 SLC6A4 3817/4885SLC6A2 3596/4885HTR1B 2599/4885

“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.