SCHEMBL13234336

SCHEMBL13234336

CCOCc1cc(OCC)c2cc(CO)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.40
▸ S1PR3 Q99500 3/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL3025700 0.80 KDM4E (0.47) CYP3A4SMN1; SMN2MEN1LMNACYP1A2
SCHEMBL3022280 0.73 KCNH2 (0.46) SMN1; SMN2MEN1LMNACYP1A2TSHR
SCHEMBL15853564 0.71 HTT (0.44) S1PR1S1PR3CYP3A4MAPK1SMN1; SMN2
SCHEMBL697888 0.69 HTT (0.61) S1PR1S1PR3CYP3A4MAPK1SMN1; SMN2
SCHEMBL13234527 0.68 KDM4E (0.43) CYP3A4SMN1; SMN2MEN1LMNACYP1A2
SCHEMBL13234908 0.68 KDM4E (0.43) CYP3A4SMN1; SMN2MEN1LMNACYP1A2
SCHEMBL4280433 0.68 NCF1 (0.44) SMN1; SMN2LMNAPDE4APDE3ANCF1
SCHEMBL13214422 0.67 KDM4E (0.47) CYP3A4SMN1; SMN2MEN1LMNACYP1A2
SCHEMBL6035606 0.66 MEN1 (0.60) MAPK1SMN1; SMN2MEN1LMNAADRA1A
SCHEMBL4276108 0.66 P2RX7 (0.38) CYP3A4MAPK1SMN1; SMN2MEN1LMNA

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-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
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 S1PR1 3596/4885S1PR3 3366/4885CYP3A4 51/4885

“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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