SCHEMBL4123709

SCHEMBL4123709

COc1ccccc1OC(=O)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HPGD P15428 2/20 0.48
ELANE P08246 1/20 0.47
PDE4B Q07343 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL8320004 0.93 POLB (0.63) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL31321646 0.91 POLB (0.62) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL16756212 0.90 L3MBTL1 (0.70) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL28731538 0.89 POLB (0.58) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL29639218 0.84 MEN1 (0.55) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL28479970 0.84 L3MBTL1 (0.54) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL8861193 0.83 NPC1 (0.60) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL28277126 0.83 POLB (0.53) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL16756223 0.82 ESR1 (0.63) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL16756229 0.82 KMT2A (0.64) POLBKMT2AMEN1RAB9AL3MBTL1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
CN-104447716-A Modulators of CFTR VERTEX PHARMA 2015-03-25 CN disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 US disclosed
CN-102775396-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-08 CN disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
CN-101687842-A modulators of cftr VERTEX PHARMA 2010-03-31 CN disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
CN-101395147-A 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis VERTEX PHARMA (US) 2009-03-25 CN disclosed
CN-101370812-A Fused heterocyclic compound TAKEDA PHARMACEUTICAL (JP) 2009-02-18 CN disclosed
CN-101356170-A Heterocyclic modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2009-01-28 CN disclosed
EP-1054867-A1 ANTIVIRALS MEDIVIR AB (SE) 2000-11-29 EP disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 CN disclosed
WO-1999036406-A1 ANTIVIRALS MEDIVIR AB (SE) 1999-07-22 WO disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP 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 (6 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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 POLB 1603/4885KMT2A 4636/4885MEN1 4857/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 POLB 2183/4885KMT2A 4313/4885MEN1 4687/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885KMT2A 4313/4885MEN1 4687/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885KMT2A 4313/4885MEN1 4687/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885KMT2A 4313/4885MEN1 4687/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885KMT2A 4313/4885MEN1 4687/4885

“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.