SCHEMBL3025700

SCHEMBL3025700

CCOCc1cc(OCC)c2cc(OC)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK14 Q9P0G3 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ TP53 P04637 1/20 0.39

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
SCHEMBL13234908 0.88 KDM4E (0.43) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13234527 0.88 KDM4E (0.43) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13214422 0.87 KDM4E (0.47) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3022280 0.85 KCNH2 (0.46) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3025917 0.82 KCNH2 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13234336 0.80 S1PR1 (0.40) SMN1; SMN2MEN1KMT2ALMNAKCNH2
SCHEMBL13235536 0.79 KDM4E (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13234529 0.74 KCNH2 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31587770 0.72 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19249249 0.72 PLA2G2A (0.46) KDM4ESMN1; SMN2MEN1KMT2AKCNH2

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-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
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 KDM4E 599/4885SMN1; SMN2 2941/4885MEN1 1964/4885

“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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