SCHEMBL16785670

SCHEMBL16785670

COc1cc(C)c(OC)c(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.41
▸ PTPN1 P18031 2/20 0.39
▸ CYP3A4 P08684 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 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
SCHEMBL16785672 0.78 ACHE (0.55) ELANECYP3A4HPGDKMT2ASMN1; SMN2
SCHEMBL16785680 0.78 ELANE (0.39) ELANECYP3A4HPGDKMT2AMEN1
SCHEMBL16785678 0.77 ELANE (0.38) ELANECYP3A4HPGDKMT2APOLB
SCHEMBL16785664 0.77 PTPN1 (0.46) ELANEPTPN1HPGDPOLBSMN1; SMN2
SCHEMBL16785681 0.77 ELANE (0.38) ELANECYP3A4HPGDKMT2APOLB
SCHEMBL16785682 0.77 CYP3A4 (0.38) ELANECYP3A4HPGDKMT2APOLB
SCHEMBL16785674 0.75 ELANE (0.42) ELANEPTPN1HPGDBRD4POLB
SCHEMBL16785666 0.74 ELANE (0.49) ELANEPTPN1KMT2APOLBSMN1; SMN2
SCHEMBL16785676 0.74 ELANE (0.49) ELANECYP3A4KMT2AUSP2MAPK1
SCHEMBL16785668 0.74 ELANE (0.53) ELANEKMT2ASMN1; SMN2MTNR1AMTNR1B

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 1208/4885PTPN1 4235/4885CYP3A4 1102/4885

“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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