SCHEMBL18155072

SCHEMBL18155072

O=C(O)/C=C/C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.59
LPAR1 Q92633 1/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CREBBP Q92793 1/20 0.58
PARP1 P09874 2/20 0.57
PARP15 Q460N3 2/20 0.57
PARP14 Q460N5 2/20 0.57
PARP10 Q53GL7 2/20 0.57
LPAR3 Q9UBY5 2/20 0.56
MAPT P10636 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP2 O95551 1/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
NMT1 P30419 1/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL18155074 1.00 LPAR2 (0.59) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL16269020 0.96 LPAR2 (0.65) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL19911214 0.88 PARP1 (0.54) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL19911213 0.88 LPAR2 (0.56) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL15798246 0.82 CREBBP (0.79) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL9364431 0.82 CREBBP (0.79) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL9364423 0.82 CREBBP (0.79) LPAR2LPAR1KMT2AMEN1CREBBP
SCHEMBL7858424 0.81 LPAR2 (0.72) LPAR2LPAR1KMT2AMEN1LPAR3
SCHEMBL7858420 0.81 LPAR2 (0.72) LPAR2LPAR1KMT2AMEN1LPAR3
SCHEMBL17239834 0.79 MEN1 (0.61) LPAR2LPAR1KMT2AMEN1CREBBP

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-10562920-B2 Ln(III) and Ga(III) metallacrown complexes THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 US disclosed
US-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NATIONAL SCIENCE FOUNDATION 2018-05-10 US disclosed
EP-3283497-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES The Regents of The University of Michigan (US) 2018-02-21 EP disclosed
WO-2016166380-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-20 WO 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 (2 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-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NEU3, GALNT3, LGALS3 LPAR2 604/4885LPAR1 451/4885KMT2A 2081/4885
US-10562920-B2 Ln(III) and Ga(III) metallacrown complexes NEU3, GALNT3, LGALS3 LPAR2 604/4885LPAR1 451/4885KMT2A 2081/4885

“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.