SCHEMBL6944394

SCHEMBL6944394

COc1cccc2ccc(CC#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
THRB P10828 1/20 0.42
ACHE P22303 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NQO1 P15559 1/20 0.41
TNF P01375 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
DHODH Q02127 1/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 2/20 0.39
HPGDS O60760 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11266053 0.81 PIK3CD (0.40) KDM4ETDP1RAB9ANPC1THRB
SCHEMBL25629899 0.80 CYP1A2 (0.50) KDM4ERAB9ANPC1ACHEALDH1A1
SCHEMBL15345390 0.79 DHODH (0.46) KDM4ERAB9AACHEALDH1A1HPGD
SCHEMBL10391434 0.77 KDM4E (0.53) KDM4ETDP1NPC1TNFMAPT
SCHEMBL11272789 0.77 CYP1A2 (0.51) KDM4ETDP1RAB9ANPC1THRB
SCHEMBL6100006 0.76 ACHE (0.57) KDM4EACHEALDH1A1HPGDHSD17B10
SCHEMBL77974 0.74 CA2 (0.61) KDM4EALDH1A1HSD17B10PIK3CDPIK3CA
SCHEMBL11471351 0.74 ALDH1A1 (0.56) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL31074286 0.74 ALDH1A1 (0.56) KDM4ETDP1ALDH1A1HPGDHSD17B10
SCHEMBL11466634 0.73 ALDH1A1 (0.49) KDM4ERAB9ANPC1ALDH1A1HPGD

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
WO-2003104167-A2 CYANOHYDRIN ETHERS AND ESTERS AS HIGH-SENSITIVITY ENZYME SUBSTRATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-12-18 WO disclosed
US-20030207344-A1 Cyanohydrin ethers and esters as high-sensitivity enzyme substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-11-06 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-20030207344-A1 Cyanohydrin ethers and esters as high-sensitivity enzyme substrates HPD, BCKDK, PCK1 KDM4E 669/4885TDP1 2827/4885RAB9A 4819/4885

“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.