SCHEMBL22152004

SCHEMBL22152004

CC(=O)OCCCOc1ccc(C#N)c2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
AAK1 Q2M2I8 2/20 0.39
PDE4B Q07343 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
XDH P47989 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
EGFR P00533 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL22122407 0.75 ALDH1A1 (0.40) ALDH1A1HPGDPDE4BXDH
SCHEMBL4772030 0.74 ALDH1A1 (0.45) ALDH1A1AAK1PDE4BKDM4ELMNA
SCHEMBL25170808 0.71 NOS3 (0.42) ALDH1A1AAK1XDHTDP1NPSR1
SCHEMBL1667669 0.70 CFD (0.47) ALDH1A1HPGDAAK1PTGDR2XDH
SCHEMBL14282484 0.70 ALDH1A1 (0.47) ALDH1A1AAK1PTGDR2CYSLTR2CYSLTR1
SCHEMBL4456952 0.69 HPGD (0.56) ALDH1A1HPGDAAK1XDHLMNA
SCHEMBL21938668 0.69 ALDH1A1 (0.43) ALDH1A1HPGDPDE4BTDP1POLB
SCHEMBL89415 0.68 EGFR (0.41) ALDH1A1HPGDAAK1KDM4ELMNA
SCHEMBL5271103 0.68 AAK1 (0.43) ALDH1A1HPGDAAK1PTGDR2XDH
SCHEMBL27404855 0.68 ALDH1A1 (0.62) ALDH1A1HPGDCYSLTR2CYSLTR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO 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-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 4539/4885HPGD 3246/4885AAK1 1505/4885

“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.