SCHEMBL13052097

SCHEMBL13052097

O=C(O)CCC(=O)c1cccc(C(=O)CCC(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
ACMSD Q8TDX5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR4A2 P43354 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP1A2 P05177 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
GLA P06280 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FFAR1 O14842 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL15057800 0.84 RAB9A (0.50) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL4743860 0.78 CTNNB1 (0.63) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL30609612 0.78 CTNNB1 (0.63) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL11227550 0.77 MGAM (0.62) KDM4ENR4A2ALDH1A1GAACYP1A2
SCHEMBL15988712 0.77 ALDH1A1 (0.51) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL25335332 0.75 MEN1 (0.49) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL1596880 0.73 CYP1A2 (0.55) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL28712036 0.73 KDM4E (0.52) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL13921495 0.72 MEN1 (0.59) ALDH1A1KMT2A
SCHEMBL1546180 0.71 KDM4E (0.68) KDM4ETSHRALOX15ACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP KDM4E 2333/4885TSHR 3126/4885ALOX15 603/4885

“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.