SCHEMBL16785675

SCHEMBL16785675

COc1cc(OC(=O)OC(C)(C)C)c(OC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNFSF11 O14788 1/20 0.42
▸ MTNR1A P48039 5/20 0.40
▸ MTNR1B P49286 5/20 0.40
▸ ELANE P08246 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ STING1 Q86WV6 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL16785673 1.00 TNFSF11 (0.42) TNFSF11MTNR1AMTNR1BELANEKDM4E
SCHEMBL16785680 0.79 ELANE (0.39) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL16785665 0.79 ACHE (0.53) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL16785667 0.79 ACHE (0.53) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL16785668 0.78 ELANE (0.53) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL16785682 0.78 CYP3A4 (0.38) TNFSF11MTNR1AMTNR1BELANEKDM4E
SCHEMBL16785681 0.78 ELANE (0.38) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL18200168 0.78 MTNR1A (0.48) TNFSF11MTNR1AMTNR1BELANEKDM4E
SCHEMBL16785678 0.78 ELANE (0.38) MTNR1AMTNR1BELANEKDM4EALDH1A1
SCHEMBL16785672 0.75 ACHE (0.55) ELANEKDM4EALDH1A1GAACYP3A4

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 TNFSF11 4873/4885MTNR1A 4534/4885MTNR1B 4603/4885

“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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