SCHEMBL316573

SCHEMBL316573

CC(C)(C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 6/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 4/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DNMT1 P26358 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
CASP3 P42574 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL8330397 1.00 LMNA (0.51) LMNAALDH1A1GAATP53POLB
SCHEMBL30353214 0.98 LMNA (0.50) LMNAALDH1A1GAATP53POLB
SCHEMBL11816701 0.86 LMNA (0.49) LMNAALDH1A1GAATP53POLB
SCHEMBL30353246 0.84 KDM4E (0.56) LMNAALDH1A1GAAKDM4ECYP3A4
SCHEMBL411858 0.83 LMNA (0.46) LMNAALDH1A1GAATP53POLB
SCHEMBL317136 0.82 MEN1 (0.53) POLBCYP2D6TDP1
SCHEMBL411712 0.81 LMNA (0.48) LMNAALDH1A1GAATP53POLB
SCHEMBL25667517 0.80 LMNA (0.43) LMNAALDH1A1GAATP53POLB
SCHEMBL27240658 0.80 KMT2A (0.35) LMNAALDH1A1GAATP53KDM4E
SCHEMBL26931875 0.80 LMNA (0.47) LMNAALDH1A1GAATP53POLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315829-B Small molecule organic dye 巴塞尔大学 2022-11-04 CN disclosed
US-11214687-B2 Small-molecule organic dyes UNIVERSITÄT BASEL (CH) 2022-01-04 US disclosed
US-20200255667-A1 SMALL-MOLECULE ORGANIC DYES UNIVERSITÄT BASEL (CH) 2020-08-13 US disclosed
CN-111315829-A Small molecule organic dye 巴塞尔大学 2020-06-19 CN disclosed
EP-2045014-B1 POLYMER-SUPPORTED METAL COMPLEX CATALYST UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-01-15 EP disclosed
EP-2045014-B1 POLYMER-SUPPORTED METAL COMPLEX CATALYST UNIV HOKKAIDO NAT UNIV CORP (JP) 2014-01-15 EP disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-8092720-B2 Polymer-supported metal complex catalyst NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
US-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-09-10 US disclosed
EP-2045014-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST National University Corporation Hokkaido University (JP) 2009-04-08 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 (3 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-20090227743-A1 POLYMER-SUPPORTED METAL COMPLEX CATALYST PYM1, ARG1, SCO2 LMNA 1555/4885ALDH1A1 2736/4885GAA 4499/4885
US-11214687-B2 Small-molecule organic dyes SLC7A5, SLC30A5, ZKSCAN2 LMNA 4718/4885ALDH1A1 2000/4885GAA 4401/4885
US-20200255667-A1 SMALL-MOLECULE ORGANIC DYES SLC7A5, SLC30A5, ZKSCAN2 LMNA 4718/4885ALDH1A1 2000/4885GAA 4401/4885

“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.