SCHEMBL3025917

SCHEMBL3025917

CCOc1cc(CC(=O)O)nc2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.48
▸ HSD17B10 Q99714 6/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ KDM4E B2RXH2 8/20 0.45
▸ HPGD P15428 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ PLA2G2A P14555 1/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL3022280 0.85 KCNH2 (0.46) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL13214422 0.85 KDM4E (0.47) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL3025700 0.82 KDM4E (0.47) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL13234527 0.81 KDM4E (0.43) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL13234908 0.81 KDM4E (0.43) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL13234529 0.80 KCNH2 (0.51) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL23229043 0.74 HSD17B10 (0.62) HSD17B10PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL17967503 0.74 HSD17B10 (0.77) HSD17B10PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL9379551 0.73 KCNH2 (0.55) KCNH2HSD17B10KDM4EHPGDALDH1A1
SCHEMBL19579751 0.73 ALOX15 (0.55) HSD17B10KDM4EHPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 — — US disclosed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 — — EP disclosed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 — — 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 (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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF PF4, KCNQ1, KCNQ2 KCNH2 367/4885HSD17B10 1593/4885PTGS1 393/4885

“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.

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