SCHEMBL5485443

SCHEMBL5485443

C=CCOc1cc(CO)cc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL7589231 0.96 MEN1 (0.42) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL20391484 0.90 MEN1 (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL13284003 0.89 ACHE (0.48) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15432991 0.87 ALDH1A1 (0.42) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL16141852 0.87 CYP4F2 (0.50) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4880814 0.87 KAT6A (0.41) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL18614954 0.84 MEN1 (0.36) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL16092464 0.83 GPBAR1 (0.37) SMN1; SMN2GPBAR1
SCHEMBL2522114 0.81 KDM4E (0.52) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL2528507 0.79 NPC1 (0.40) LMNAMAPTSMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 US disclosed
EP-3307725-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-04-18 EP disclosed
CN-107709314-A Efflux pump inhibitor and its therapeutic use 巴斯利尔药物国际股份公司 2018-02-16 CN disclosed
WO-2017042099-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2017-03-16 WO disclosed
WO-2016198691-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2016-12-15 WO disclosed
US-20070037061-A1 Polymer electrolyte complex THE UNIVERSITY OF SHEFFIELD (GB) 2007-02-15 US disclosed
US-20070009805-A1 Polymer electrolyte THE UNIVERSITY OF SHEFFIELD (GB) 2007-01-11 US disclosed
WO-2006051323-A1 POLYMER ELECTROLYTE THE UNIVERSITY OF SHEFFIELD (GB) 2006-05-18 WO disclosed
EP-1623474-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2006-02-08 EP disclosed
EP-1623475-A2 POLYMER ELECTROLYTE COMPLEX The University Of Sheffield (GB) 2006-02-08 EP disclosed
WO-2004102693-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2004-11-25 WO disclosed
WO-2004102692-A2 POLYMER ELECTROLYTE COMPLEX THE UNIVERSITY OF SHEFFIELD (GB) 2004-11-25 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 (3 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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MEN1 3487/4885LMNA 2385/4885MAPT 3746/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 MEN1 3443/4885LMNA 2482/4885MAPT 3744/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MEN1 3443/4885LMNA 2482/4885MAPT 3744/4885

“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.