SCHEMBL14399554

SCHEMBL14399554

CCC(CC)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL22571314 0.89 AOC3 (0.45) AOC3PDE1APDE1BPDE1CALOX5
SCHEMBL22435151 0.86 AOC3 (0.43) AOC3PDE1APDE1BPDE1CALOX5
SCHEMBL22571301 0.82 AOC3 (0.49) AOC3PDE1APDE1BPDE1CALOX5
SCHEMBL27587124 0.79 AOC3 (0.43) AOC3ALOX5CYP1A2
SCHEMBL27665354 0.79 AOC3 (0.44) AOC3
SCHEMBL27665224 0.78 AOC3 (0.43) AOC3
SCHEMBL9370526 0.77 AOC3 (0.47) AOC3ALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL5403166 0.77 AOC3 (0.47) AOC3ALOX5PTGS2SMN1; SMN2NPC1
SCHEMBL27665225 0.77 AOC3 (0.42) AOC3POLB
SCHEMBL4987704 0.77 AOC3 (0.42) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-08-03 US disclosed
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-10-22 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 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 (3 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-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4610/4885PDE1A 817/4885PDE1B 1538/4885
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors MAPK1, MAPK8, MAPK4 AOC3 4630/4885PDE1A 1083/4885PDE1B 1649/4885
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885PDE1A 1083/4885PDE1B 1649/4885

“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.