SCHEMBL2390680

SCHEMBL2390680

OCc1cccc(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NUDT1 P36639 1/20 0.43
CHRM1 P11229 4/20 0.41
CHRM3 P20309 2/20 0.41
ALOX5 P09917 1/20 0.41
DHFR P00374 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDO2 P48775 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
ESR2 Q92731 1/20 0.38
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR7 P34969 1/20 0.37
PDK2 Q15119 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
SCHEMBL2389062 0.80 NR4A2 (0.44) PDCD1CD274PDK2
SCHEMBL9720773 0.79 PDCD1 (0.43) PDCD1CD274TAAR1DCLRE1BESR2
SCHEMBL14686334 0.79 NUDT1 (0.44) PDCD1CD274NUDT1CHRM1CHRM3
SCHEMBL7204765 0.77 PDCD1 (0.62) PDCD1CD274TDO2PDK2
SCHEMBL410769 0.74 PDCD1 (0.44) PDCD1CD274CHRM1CHRM3PDK2
SCHEMBL25681057 0.74 NPC1 (0.48) NUDT1ALOX5DHFRTDO2ADORA1
SCHEMBL9720784 0.73 ESR2 (0.43) PDCD1CD274TAAR1DCLRE1BESR2
SCHEMBL5050877 0.73 CYP2A6 (0.52) ALOX5DHFRTAAR1TDO2ADORA1
SCHEMBL9862849 0.72 NPC1 (0.50) NUDT1ALOX5DHFRTAAR1TDO2
SCHEMBL28994669 0.72 ALOX5 (0.61) ALOX5TAAR1DCLRE1BESR2

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 5 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-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-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 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 PDCD1 2431/4885CD274 1498/4885NUDT1 1039/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 PDCD1 402/4885CD274 512/4885NUDT1 4103/4885

“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.