SCHEMBL1200260

SCHEMBL1200260

CC[Si](CC)(CC)Oc1ccc(C(O)C#N)c(COc2c(C)cccc2C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
FFAR1 O14842 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 1/20 0.31
MAOB P27338 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
IKBKB O14920 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL1201086 0.89 TSHR (0.35) TSHRKDM4ELMNAFFAR1L3MBTL1
SCHEMBL1199474 0.85 CYP2D6 (0.35) TSHRKDM4ELMNAFFAR1MAOB
SCHEMBL1199752 0.82 FFAR1 (0.39) TSHRKDM4EFFAR1ARMAOB
SCHEMBL1200700 0.82 MAOB (0.39) TSHRKDM4ELMNAFFAR1L3MBTL1
SCHEMBL1200589 0.81 SCN8A (0.40) TSHRFFAR1SCN8AARMAOB
SCHEMBL1201102 0.80 AR (0.37) TSHRKDM4ELMNAFFAR1AR
SCHEMBL1200371 0.80 AR (0.34) TSHRKDM4EFFAR1SCN8AAR
SCHEMBL1200733 0.78 KMT2A (0.41) TSHRKDM4EMAOBMEN1KMT2A
SCHEMBL1201055 0.77 TSHR (0.36) TSHRLMNAFFAR1SCN8AMEN1
SCHEMBL15375561 0.77 TSHR (0.42) TSHRLMNASCN8AMEN1KMT2A

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 2 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

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 4501/4885KDM4E 1728/4885LMNA 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.