SCHEMBL4254952

SCHEMBL4254952

O=C(O)Cc1c(C(=O)c2ccccc2-c2ccccc2)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40

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
SCHEMBL4262214 0.85 PLK1 (0.48) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL8167484 0.81 PTPN1 (0.56) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL8167630 0.75 MAPT (0.43) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL8167631 0.72 RXRA (0.48) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL13755297 0.72 NPY1R (0.47) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL8175782 0.72 ALDH1A1 (0.47) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL8179582 0.72 MAPT (0.44) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL11179425 0.72 MCL1 (0.51) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL4262484 0.71 PRNP (0.46) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2
SCHEMBL4256044 0.71 KDM4E (0.52) MAPTALDH1A1KDM4EGAAHPGD

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
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 — — EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS MAPT 3958/4885ALDH1A1 1836/4885NPSR1 4257/4885

“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.

Send feedback