SCHEMBL26052291

SCHEMBL26052291

COc1cccc(CCCCC=O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
PPARA Q07869 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ERN1 O75460 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MPO P05164 1/20 0.37
ALKBH1 Q13686 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 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
SCHEMBL2432478 0.81 PTGS2 (0.66) ALOX5PTGS2HTR2AHTR2CPPARA
SCHEMBL2689802 0.80 SLC6A2 (0.50)
SCHEMBL16794991 0.79 HTR2A (0.45) HTR2AHTR2CCHRM2CHRM1CHRM3
SCHEMBL9694624 0.79 CHRM2 (0.55) CHRM2CHRM1CHRM3CA12CA1
SCHEMBL2436861 0.79 ALOX5 (0.58) ALOX5PTGS2HTR2AHTR2CPPARA
SCHEMBL734008 0.78 CA12 (0.55) ALOX5PTGS2HTR2AHTR2CCA12
SCHEMBL6112752 0.78 PPARA (0.51) ALOX5PTGS2PPARAHDAC1HDAC6
SCHEMBL31114215 0.78 PPARA (0.51) ALOX5PTGS2PPARAHDAC1HDAC6
SCHEMBL12525776 0.78 TAAR1 (0.53) ALOX5PTGS2HTR2AHTR2CPPARA
SCHEMBL2428496 0.75 ALOX5 (0.49) ALOX5PTGS2HTR2AHTR2CPPARA

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
EP-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 EP disclosed
EP-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 EP disclosed
EP-3793994-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2021-03-24 EP disclosed
US-10899753-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2021-01-26 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 (1 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-10899753-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ALOX5 4294/4885PTGS2 3234/4885HTR2A 4511/4885

“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.