SCHEMBL277161

SCHEMBL277161

C[Si](C)(C)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
THRB P10828 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL31236787 1.00 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10260639 0.93 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10267570 0.85 ENPP1 (0.44) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL29547734 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2122937 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29512003 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10260950 0.84 GSTP1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10267621 0.84 GSTP1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10260057 0.84 GSTP1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL6123506 0.83 PTAFR (0.30)

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
EP-2116521-B1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE JAPAN SCIENCE & TECH AGENCY (JP) 2016-07-06 EP disclosed
US-8134019-B2 Process for producing fullerene derivative JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-03-13 US disclosed
US-20100048934-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-25 US disclosed
EP-2116521-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE Japan Science and Technology Agency (JP) 2009-11-11 EP 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-20100048934-A1 PROCESS FOR PRODUCING FULLERENE DERIVATIVE INF2, EIF4B, C9 ALDH1A1 1723/4885HPGD 3132/4885HSD17B10 1514/4885

“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.