SCHEMBL4805229

SCHEMBL4805229

COc1ccc(OC(=O)C2CCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
HTT P42858 3/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
POLB P06746 2/20 0.59
ELANE P08246 2/20 0.59
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ATM Q13315 1/20 0.55
HPGD P15428 4/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50

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
SCHEMBL8585264 0.98 KMT2A (0.72) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL8320550 0.96 KMT2A (0.81) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL3760925 0.92 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL12536537 0.92 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL26866501 0.89 ELANE (0.61) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL10574401 0.88 KMT2A (0.88) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL25870585 0.87 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL29262919 0.86 KMT2A (0.60) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL23720977 0.86 SMN1; SMN2 (0.59) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL18879707 0.86 KMT2A (0.59) KMT2AHTTSMN1; SMN2TDP1POLB

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 16 patents. 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
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
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 WO disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 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 (9 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 KMT2A 86/4885HTT 2199/4885SMN1; SMN2 4503/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885

“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.