SCHEMBL23920671

SCHEMBL23920671

CCCCCCC(C)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
TOP1 P11387 3/20 0.42
HTR1A P08908 3/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 3/20 0.36
ALOX5 P09917 4/20 0.36
HTR2A P28223 1/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
LTA4H P09960 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
SCHEMBL27692331 0.94 AOC3 (0.44) AOC3TOP1LMNAHTR2A
SCHEMBL23920596 0.87 AOC3 (0.46) AOC3ALOX5
SCHEMBL27587124 0.86 AOC3 (0.43) AOC3TOP1HTR1ACYP3A4ALOX5
SCHEMBL31195739 0.84 AOC3 (0.44) AOC3TOP1HTR1ACYP3A4
SCHEMBL22571301 0.80 AOC3 (0.49) AOC3LMNAALOX5
SCHEMBL6679792 0.79 PPARG (0.46) TOP1HTR1AALOX5
SCHEMBL13864552 0.79 PPARG (0.46) TOP1HTR1AALOX5
SCHEMBL11363489 0.77 CYP2D6 (0.50) LMNAMAPK1HTTHTR2ACYP2D6
SCHEMBL24313204 0.77 CA12 (0.42) HTR1ACYP2D6
SCHEMBL12806641 0.77 TLR8 (0.38) TOP1LMNACYP3A4HTR2ACYP2D6

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 3 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-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 (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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885TOP1 1099/4885HTR1A 3855/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 AOC3 4630/4885TOP1 1099/4885HTR1A 3855/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 AOC3 4630/4885TOP1 1099/4885HTR1A 3855/4885

“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.