SCHEMBL4606315

SCHEMBL4606315

C=CCOC(=O)c1c(CC=C)cccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ELANE P08246 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14140938 0.87 CYP3A4 (0.42) CYP3A4ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL14141043 0.82 CA12 (0.61) CYP3A4ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL4603952 0.81 CYP3A4 (0.50) CYP3A4KMT2AMEN1KDM4EALDH1A1
SCHEMBL301499 0.81 CYP3A4 (0.63) CYP3A4KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL28367209 0.79 KDM4E (0.48) CYP3A4ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL22418858 0.76 CYP3A4 (0.59) CYP3A4KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7756816 0.75 CYP3A4 (0.72) CYP3A4KMT2AMEN1ALDH1A1HTT
SCHEMBL6689667 0.74 CYP3A4 (0.61) CYP3A4KMT2AMEN1SMN1; SMN2KDM4E
Bicarbonate SCHEMBL3212051 0.74 KDM4E (0.54) CYP3A4ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL17509445 0.74 CYP3A4 (0.49) CYP3A4KMT2AMEN1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944307-A2 Synthetic Salicylihalamides, Apicularens and Derivatives Thereof Board of Regents, The University of Texas System (US) 2008-07-16 EP disclosed
EP-1944307-A2 Synthetic Salicylihalamides, Apicularens and Derivatives Thereof Board of Regents, The University of Texas System (US) 2008-07-16 EP disclosed
US-6936723-B2 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-08-30 US disclosed
US-20040171672-A1 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-02 US disclosed
US-6734209-B2 MACROCYCLIC LACTONES HAVING ANTI-CANCER ACTIVITY AND VACUOLAR ATPASE INHIBITORY ACTIVITY BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2004-05-11 US disclosed
US-20040063778-A1 Synthetic salicylihalamides, apicularens and derivatives thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-04-01 US disclosed
US-6617348-B1 Treating or preventing osteoporosis UT SOUTHWESTERN MEDICAL CENTER 2003-09-09 US disclosed
EP-1307439-A2 SYNTHETIC SALICYLIHALAMIDES, APICULARENS AND DERIVATIVES THEREOF Board of Regents, The University of Texas System (US) 2003-05-07 EP disclosed
WO-2002012223-A2 SYNTHETIC SALICYLIHALAMIDES, APICULARENS AND DERIVATIVES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-02-14 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 (2 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-20040063778-A1 Synthetic salicylihalamides, apicularens and derivatives thereof ATP6V1H, ATP6V1G1, ATP6V1A CYP3A4 185/4885ELANE 4327/4885KMT2A 3382/4885
US-20040171672-A1 Synthetic salicylihalamides, apicularens and derivatives thereof ATP6V1H, ATP6V1G1, ATP6V1A CYP3A4 185/4885ELANE 4327/4885KMT2A 3382/4885

“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.