SCHEMBL1199765

SCHEMBL1199765

CC(C)(C)c1ccc(C(O)C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
KIF11 P52732 1/20 0.44
LMNA P02545 3/20 0.43
TYR P14679 1/20 0.43
NR1H4 Q96RI1 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
SRD5A2 P31213 1/20 0.38
FFAR1 O14842 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
DRD1 P21728 1/20 0.36
DRD3 P35462 1/20 0.36
CCR2 P41597 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7200075 0.79 LMNA (0.43) TSHRKIF11LMNATYRNR1H4
SCHEMBL6908520 0.79 TSHR (0.54) TSHRKIF11ALDH1A1SRD5A2FFAR1
SCHEMBL5353277 0.79 TSHR (0.54) TSHRKIF11ALDH1A1SRD5A2FFAR1
SCHEMBL11043704 0.77 KIF11 (0.45) TSHRKIF11LMNATYRNR1H4
SCHEMBL8019231 0.76 TSHR (0.60) TSHRLMNATYRALDH1A1SMN1; SMN2
SCHEMBL3991740 0.76 TSHR (0.60) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL1200882 0.76 TSHR (0.60) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL8305563 0.75 KIF11 (0.44) TSHRKIF11LMNATYRNR1H4
SCHEMBL3586191 0.75 LMNA (0.52) TSHRKIF11LMNATYRNR1H4
SCHEMBL3692155 0.75 LMNA (0.52) TSHRKIF11LMNATYRNR1H4

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 4501/4885KIF11 2098/4885LMNA 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.