SCHEMBL5597864

SCHEMBL5597864

OC[C@H](F)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 3/20 0.33
PRKCA P17252 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14418633 1.00 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL4137129 0.75 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL3813603 0.73 KMT2A (0.48) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14055077 0.73 SLC22A2 (0.41) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL9670646 0.71 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5301476 0.71 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14695859 0.71 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL4946866 0.71 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL17347044 0.69 KMT2A (0.65) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL4136815 0.68 KMT2A (0.43) KMT2AMEN1CYP2D6CYP2C19SLC22A2

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-7265249-B2 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-04 US disclosed
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-24 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-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts ALDH3A1, ALDH1A1, POLL KMT2A 924/4885MEN1 2018/4885CYP2D6 3464/4885

“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.