SCHEMBL14681024

SCHEMBL14681024

CC#CCOc1ccc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(CC)c3OCC#CC)c2OCC#CC)c1OCC#CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.40
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.33
PDE4B Q07343 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14213254 0.79 LMNA (0.39) SLC1A5USP2LMNACYP3A4HSD17B10
SCHEMBL10046757 0.76 MAPT (0.39) USP2LMNACYP3A4HSD17B10ATM
SCHEMBL14213246 0.76 KDM4E (0.40) USP2LMNACYP3A4HSD17B10ATM
SCHEMBL10046742 0.74 ESR1 (0.46) USP2LMNACYP3A4HSD17B10NPSR1
SCHEMBL29168894 0.70 CYP2C19 (0.42) SLC1A5LMNAHSD17B10PDE4BNPSR1
SCHEMBL14213245 0.70 ALDH1A1 (0.42) LMNANPSR1CYP2C19MAPTMAPK1
SCHEMBL10046758 0.70 USP2 (0.37) SLC1A5USP2LMNACYP3A4HSD17B10
SCHEMBL14680975 0.69 KDM4E (0.43) USP2LMNACYP3A4HSD17B10NPSR1
SCHEMBL19121266 0.69 ALDH1A1 (0.51) HSD17B10ATMNPSR1CYP2C19MAPT
SCHEMBL14213225 0.69 CYP1A2 (0.52) NPSR1CYP2C19MAPTALDH1A1KDM4E

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-8642656-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-04 US disclosed
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-02-07 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-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU SLC1A5 4196/4885USP2 4076/4885LMNA 2115/4885

“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.