SCHEMBL3500828

SCHEMBL3500828

CCOC(=O)C=Cc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGER4 P35408 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.49
VCAM1 P19320 1/20 0.49
USP10 Q14694 1/20 0.48

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
SCHEMBL3500826 1.00 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3601937 0.91 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3071975 0.91 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3166353 0.88 TSHR (0.52) ALDH1A1RAB9ALMNASTAT3
SCHEMBL4882206 0.88 TSHR (0.52) ALDH1A1RAB9ALMNASTAT3
SCHEMBL2536459 0.84 STAT3 (0.54) KMT2AALDH1A1MAPTRAB9APKM
SCHEMBL2536457 0.84 STAT3 (0.54) KMT2AALDH1A1MAPTRAB9APKM
SCHEMBL3126940 0.83 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3126932 0.83 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL29493914 0.83 MAPT (0.54) KMT2AALDH1A1MAPTRAB9ANPC1

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 KMT2A 3440/4885ALDH1A1 1850/4885MAPT 4265/4885

“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.