SCHEMBL16785679

SCHEMBL16785679

COc1cc(OC)c(OC(=O)OC(C)(C)C)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.38
▸ ELANE P08246 2/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACHE P22303 1/20 0.36
▸ MTNR1A P48039 4/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ TPMT P51580 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL16785682 0.91 CYP3A4 (0.38) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785680 0.86 ELANE (0.39) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785681 0.84 ELANE (0.38) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785677 0.82 ACHE (0.48) ELANEMEN1KMT2AMAPTPOLB
SCHEMBL24110725 0.82 LMNA (0.40) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785678 0.81 ELANE (0.38) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785684 0.80 ELANE (0.41) ELANE
SCHEMBL16785683 0.80 ELANE (0.41) ELANE
SCHEMBL16785672 0.79 ACHE (0.55) CYP3A4ELANEMEN1KMT2AMAPT
SCHEMBL16785671 0.79 ELANE (0.42) ELANEMAPTPOLBTDP1MTNR1A

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-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

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 CYP3A4 1102/4885ELANE 1208/4885MEN1 1152/4885

“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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