SCHEMBL13052010

SCHEMBL13052010

O=C(CC(O)C(=O)O)c1cccc(C(=O)CC(O)C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMO O15229 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
PTPRA P18433 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
TET2 Q6N021 1/20 0.36

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
SCHEMBL16715999 0.89 TSHR (0.39) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL13080910 0.85 CYP1A2 (0.40) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL4036991 0.80 PTPRA (0.56) KDM4ETDP1SMN1; SMN2PTPRALMNA
SCHEMBL6276435 0.74 TSHR (0.67) TSHRKDM4EALOX15TDP1KMO
SCHEMBL4967701 0.74 TSHR (0.67) TSHRKDM4EALOX15TDP1KMO
SCHEMBL8076205 0.74 TSHR (0.67) TSHRKDM4EALOX15TDP1KMO
SCHEMBL27584150 0.72 PTPN1 (0.57) TSHRKDM4EALOX15TDP1SMN1; SMN2
SCHEMBL13649466 0.70 KMO (0.46) KMO
SCHEMBL13052097 0.69 KDM4E (0.54) TSHRKDM4EALOX15ACMSDTDP1
Naphthalene SCHEMBL2936422 0.69 SMN1; SMN2 (0.65) TSHRKMOSMN1; SMN2PTPRACYP1A2

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 TSHR 3126/4885KDM4E 2333/4885ALOX15 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.