SCHEMBL1200602

SCHEMBL1200602

N#CC(OOC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PAM P19021 1/20 0.42
CNR2 P34972 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
KLK7 P49862 2/20 0.39
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CTBP2 P56545 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
SCHEMBL8964976 0.84 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL11025357 0.84 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL1200908 0.83 TSHR (0.38) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL1200534 0.81 L3MBTL1 (0.37) TSHRALDH1A1L3MBTL1CES2CES1
SCHEMBL1200944 0.80 TDP1 (0.49) ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL1199594 0.78 ALDH1A1 (0.44) TSHRALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL2453507 0.76 LMNA (0.52) TSHRALDH1A1L3MBTL1CES2CES1
SCHEMBL664857 0.74 ALDH1A1 (0.65) TSHRALDH1A1MAPK1L3MBTL1PAM
Benzene SCHEMBL9407299 0.74 ALDH1A1 (0.65) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL1201387 0.74 TSHR (0.38) TSHRALDH1A1L3MBTL1SMN1; SMN2LMNA

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 4501/4885ALDH1A1 129/4885MAPK1 2037/4885

“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.