SCHEMBL2738445

SCHEMBL2738445

Cc1cccc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
ELANE P08246 1/20 0.53
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.44
FAAH O00519 1/20 0.44
GAA P10253 1/20 0.44
APEX1 P27695 1/20 0.42

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
SCHEMBL819332 0.85 LMNA (0.74) LMNAMAPTMAPK1ALOX15HSD17B10
SCHEMBL29418226 0.85 LMNA (0.74) LMNAMAPTMAPK1ALOX15HSD17B10
SCHEMBL6392035 0.84 CYP3A4 (0.62) LMNAELANEPOLBALDH1A1KMT2A
SCHEMBL12315891 0.83 ELANE (0.53) LMNAELANEACHEKMT2AMEN1
SCHEMBL16675180 0.82 LMNA (0.69) LMNAMAPTMAPK1ALOX15HSD17B10
SCHEMBL28240516 0.82 ELANE (0.55) LMNAELANEMAPTMAPK1ALDH1A1
SCHEMBL16952675 0.81 ELANE (0.51) LMNAELANEACHEKMT2ABCHE
SCHEMBL1792489 0.81 ELANE (0.51) LMNAELANEACHEKMT2AMEN1
SCHEMBL6191776 0.81 ELANE (0.51) LMNAELANEMAPTPOLBALDH1A1
SCHEMBL1789018 0.81 ELANE (0.51) LMNAELANEALDH1A1KMT2AMEN1

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 11 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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
US-8088554-B2 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD (JP) 2012-01-03 US disclosed
US-8088554-B2 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD (JP) 2012-01-03 US disclosed
US-20100151382-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 US disclosed
US-20100151382-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 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 LMNA 1111/4885ELANE 1208/4885MAPT 1256/4885

“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.