SCHEMBL23920596

SCHEMBL23920596

CCCC(C)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.46
ALOX5 P09917 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL27692331 0.90 AOC3 (0.44) AOC3SMN1; SMN2KMT2A
SCHEMBL23920671 0.87 AOC3 (0.42) AOC3ALOX5
SCHEMBL22571301 0.85 AOC3 (0.49) AOC3ALOX5ALDH1A1
SCHEMBL24663171 0.84 ALDH1A1 (0.45) TAS1R3TAS1R1ALDH1A1SMN1; SMN2MEN1
SCHEMBL22571314 0.81 AOC3 (0.45) AOC3ALOX5TAS1R3TAS1R1KDM4E
SCHEMBL487296 0.77 AOC3 (0.50) AOC3CA1CA2CA7CA9
SCHEMBL31195739 0.76 AOC3 (0.44) AOC3
SCHEMBL23095064 0.76 CA1 (0.46) CA1CA2CA7CA9TAS1R3
SCHEMBL18893195 0.76 CA1 (0.46) CA1CA2CA7CA9TAS1R3
SCHEMBL14399554 0.76 AOC3 (0.50) AOC3ALOX5SMN1; SMN2POLBNPC1

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-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 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 (4 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 4610/4885ALOX5 3918/4885CA1 4709/4885
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885ALOX5 3897/4885CA1 4767/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885ALOX5 3897/4885CA1 4767/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 AOC3 4630/4885ALOX5 3897/4885CA1 4767/4885

“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.