SCHEMBL16785664

SCHEMBL16785664

COc1c(C)cccc1OC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ ELANE P08246 1/20 0.41
▸ NFE2L2 Q16236 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16785674 0.86 ELANE (0.42) PTPN1ELANEKDM4EHPGDHSD17B10
SCHEMBL2221010 0.83 ELANE (0.49) PTPN1ELANENFE2L2KDM4EHPGD
SCHEMBL2761277 0.83 ELANE (0.49) PTPN1ELANEKDM4EHPGDHSD17B10
SCHEMBL20382703 0.82 ELANE (0.47) ELANEKDM4EHPGDHSD17B10LMNA
SCHEMBL9791378 0.80 ELANE (0.46) ELANENFE2L2KDM4EHPGDHSD17B10
SCHEMBL22724977 0.79 ESR1 (0.46) PTPN1ELANEKDM4EHSD17B10ALDH1A1
SCHEMBL16785671 0.79 ELANE (0.42) ELANEKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL30711978 0.78 CA12 (0.48) ELANEKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL982769 0.78 PTPN1 (0.51) PTPN1NFE2L2KDM4EHPGDHSD17B10
SCHEMBL29391949 0.78 CA12 (0.48) ELANEKDM4EHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 — — US disclosed
US-9365513-B2 Fullerene derivative, and method of preparing the same RICOH COMPANY, LTD. (JP) 2016-06-14 — — US disclosed
US-20150158814-A1 FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME RICOH COMPANY, LTD. (JP) 2015-06-11 — — US disclosed
US-20150158814-A1 FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME RICOH COMPANY, LTD. (JP) 2015-06-11 — — 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-20150158814-A1 FULLERENE DERIVATIVE, AND METHOD OF PREPARING THE SAME NCL, PFDN2, NUP50 PTPN1 4235/4885ELANE 1208/4885NFE2L2 115/4885

“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.

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