SCHEMBL1908605

SCHEMBL1908605

CCOC(=O)C1(C)CCC(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRMT1 Q99873 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
F10 P00742 2/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
OPRM1 P35372 1/20 0.34
FFAR3 O14843 1/20 0.33

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
SCHEMBL18082673 1.00 KDM4E (0.40) KDM4EBRD4SMN1; SMN2PRMT1MEN1
SCHEMBL2289941 0.85
SCHEMBL663885 0.85 BRD4 (0.38) BRD4SMN1; SMN2PRMT1PTPN2PTPN1
SCHEMBL12549788 0.85 BRD4 (0.38) BRD4SMN1; SMN2PRMT1PTPN2PTPN1
SCHEMBL516378 0.85 BRD4 (0.38) BRD4SMN1; SMN2PRMT1PTPN2PTPN1
SCHEMBL24313214 0.83 SMYD3 (0.39) BRD4SMN1; SMN2PRMT1PTPN1POLB
SCHEMBL1282951 0.83 SMYD3 (0.39) BRD4SMN1; SMN2PRMT1PTPN1POLB
SCHEMBL12549888 0.83 SMYD3 (0.39) BRD4SMN1; SMN2PRMT1PTPN1POLB
SCHEMBL233743 0.82 KDM4E (0.41) KDM4ESMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL17649697 0.81 SMYD3 (0.38) BRD4PRMT1PTPN1POLBF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 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 (3 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KDM4E 1416/4885BRD4 530/4885SMN1; SMN2 4695/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY KDM4E 1416/4885BRD4 530/4885SMN1; SMN2 4695/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 KDM4E 1946/4885BRD4 2036/4885SMN1; SMN2 2729/4885

“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.