SCHEMBL19124692

SCHEMBL19124692

O=C(CCCO)c1cccc(Br)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
GRM5 P41594 1/20 0.41
LMNA P02545 2/20 0.38
DAGLA Q9Y4D2 1/20 0.37
CTSA P10619 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
MAPT P10636 2/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL15988712 0.87 ALDH1A1 (0.51) ALDH1A1HPGDGRM5LMNADAGLA
SCHEMBL4835374 0.85 ALDH1A1 (0.44) ALDH1A1HPGDGRM5LMNAKMT2A
SCHEMBL29316552 0.82 MEN1 (0.51) ALDH1A1DAGLAKMT2AMAPT
SCHEMBL3508834 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL31096237 0.82 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL17440948 0.81 ALDH1A1 (0.44) ALDH1A1HPGDGRM5LMNADAGLA
SCHEMBL17449370 0.81 HPGD (0.46) ALDH1A1HPGDGRM5LMNACTSA
SCHEMBL4880259 0.79 KDM4E (0.46) ALDH1A1HPGDGRM5LMNACTSA
SCHEMBL3508261 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL29449409 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3021/4885HPGD 4658/4885GRM5 2209/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 ALDH1A1 3110/4885HPGD 4619/4885GRM5 2438/4885

“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.