SCHEMBL20658012

SCHEMBL20658012

COC(=O)C1(C)CCC(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IL1B P01584 1/20 0.30
EED O75530 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
EPAS1 Q99814 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 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
SCHEMBL27704529 0.89 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2HIF1AMEN1KMT2A
SCHEMBL28038102 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL38652270 0.74 SMN1; SMN2 (0.34) SMN1; SMN2HIF1AALDH1A1NPSR1MAPT
SCHEMBL8086329 0.70 KDM4E (0.35) CYP1A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8089735 0.70 CYP1A2 (0.35) SMN1; SMN2CYP1A2HIF1AMEN1KMT2A
SCHEMBL6902793 0.68 EED (0.41) SMN1; SMN2HIF1AMEN1KMT2AALDH1A1
SCHEMBL6838800 0.68 CA1 (0.35) KMT2A
SCHEMBL21114902 0.67 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2HIF1AMEN1KMT2A
SCHEMBL2691519 0.66
SCHEMBL5352623 0.65 EED (0.42) SMN1; SMN2HIF1AMEN1KMT2ANPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416943-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-04-01 EP disclosed
US-10343971-B2 Crotonates having use in perfumery GIVAUDAN SA (CH) 2019-07-09 US disclosed
US-20190023643-A1 Organic Compounds GIVAUDAN SA (CH) 2019-01-24 US disclosed
CN-104744409-A Method for manufacturing oxetane compound, method for manufacturing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORP 2015-07-01 CN disclosed
CN-104744315-A METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORP 2015-07-01 CN disclosed
CN-103764636-A Method for producing oxetane compound, method for producing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORP 2014-04-30 CN 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 (2 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-10343971-B2 Crotonates having use in perfumery CROCC, PAX3, H1-3 SMN1; SMN2 1848/4885CYP1A2 1733/4885HIF1A 756/4885
US-20190023643-A1 Organic Compounds OR10J3, H1-4, H1-0 SMN1; SMN2 3239/4885CYP1A2 236/4885HIF1A 1376/4885

“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.