SCHEMBL2390836

SCHEMBL2390836

COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
KCNA3 P22001 1/20 0.46
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
PDE4B Q07343 2/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
AHR P35869 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL2392374 0.77 KCNN4 (0.69) KCNN4KCNA3RAB9ANPC1ALDH1A1
SCHEMBL28044062 0.77 KCNN4 (0.51) KCNN4KCNA3RAB9ANPC1PDE4B
SCHEMBL29008837 0.73 KCNN4 (0.62) KCNN4KCNA3RAB9AKDM4EALDH1A1
SCHEMBL2403558 0.72 KCNN4 (0.58) KCNN4KCNA3RAB9ANPC1ALDH1A1
SCHEMBL1750941 0.72 KCNN4 (0.58) KCNN4KCNA3RAB9ANPC1PDE4B
SCHEMBL2361042 0.72 KCNN4 (0.67) KCNN4KCNA3RAB9AKMT2AMAPT
SCHEMBL2387915 0.70 KDM4E (0.41) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL598119 0.69 NOTUM (0.58) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL11204373 0.69 KCNN4 (0.50) KCNN4KCNA3
SCHEMBL11199996 0.69 KCNN4 (0.54) KCNN4KCNA3PDE4BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 KCNN4 4235/4885KCNA3 4627/4885RAB9A 1955/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KCNN4 10/4885KCNA3 46/4885RAB9A 2837/4885

“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.