SCHEMBL1200700

SCHEMBL1200700

CC(=O)Oc1ccc(C(O)C#N)c(COc2c(C)cccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
PTPN1 P18031 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1200733 0.88 KMT2A (0.41) MAOBKDM4EALDH1A1TSHRMRGPRX4
SCHEMBL1201086 0.84 TSHR (0.35) MAOBLMNAKDM4EALDH1A1L3MBTL1
SCHEMBL1199752 0.84 FFAR1 (0.39) MAOBKDM4ETSHRFFAR1
SCHEMBL1200589 0.83 SCN8A (0.40) MAOBCYP3A4ATMTSHRMRGPRX4
SCHEMBL1201102 0.82 AR (0.37) MAOBLMNAATMKDM4ETSHR
SCHEMBL1200260 0.82 TSHR (0.34) MAOBLMNAKDM4EL3MBTL1TSHR
SCHEMBL1200371 0.81 AR (0.34) MAOBATMKDM4ETSHRFFAR1
SCHEMBL1199474 0.81 CYP2D6 (0.35) MAOBLMNAKDM4EALDH1A1TSHR
SCHEMBL1201055 0.79 TSHR (0.36) CYP3A4LMNAALDH1A1TSHRMRGPRX4
SCHEMBL28038431 0.79 TSHR (0.42) CYP3A4LMNAHPGDTSHRMEN1

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 MAOB 2021/4885CYP3A4 771/4885LMNA 441/4885

“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.