SCHEMBL16785674

SCHEMBL16785674

COc1c(C)ccc(OC(=O)OC(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 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
SCHEMBL16785669 0.89 ELANE (0.41) ELANEALDH1A1KDM4EHSD17B10POLB
SCHEMBL16785664 0.86 PTPN1 (0.46) ELANEALDH1A1KDM4EHSD17B10POLB
SCHEMBL16785671 0.84 ELANE (0.42) ELANEALDH1A1KDM4EHSD17B10POLB
SCHEMBL16785678 0.79 ELANE (0.38) ELANEALDH1A1KDM4EPOLBMTNR1A
SCHEMBL16785681 0.76 ELANE (0.38) ELANEALDH1A1KDM4EHSD17B10POLB
SCHEMBL16785682 0.76 CYP3A4 (0.38) ELANEALDH1A1KDM4EHSD17B10POLB
SCHEMBL16785670 0.75 ELANE (0.41) ELANEPOLBMTNR1AMTNR1BPTPN1
SCHEMBL16785665 0.74 ACHE (0.53) ELANEALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL16785667 0.74 ACHE (0.53) ELANEALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL16785680 0.74 ELANE (0.39) ELANEALDH1A1KDM4EHSD17B10MTNR1A

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 ELANE 1208/4885ALDH1A1 3087/4885KDM4E 3608/4885

“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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