SCHEMBL20729422

SCHEMBL20729422

COCc1cccc(-c2cccc(OCCCCl)c2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 11/20 0.37
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 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
SCHEMBL16245089 0.80 CD274 (0.44) CD274PDCD1
SCHEMBL18757368 0.80 ALDH1A1 (0.49) CD274L3MBTL1TDP1HTR1BSMN1; SMN2
SCHEMBL30668196 0.78 HTR1B (0.46) CD274MAPTL3MBTL1MAPK1TDP1
SCHEMBL19897916 0.78 CD274 (0.39) CD274MAPTL3MBTL1MAPK1TDP1
SCHEMBL28960000 0.78 HTR1B (0.46) CD274MAPTL3MBTL1MAPK1TDP1
SCHEMBL30394059 0.78 CD274 (0.39) CD274MAPTL3MBTL1MAPK1TDP1
SCHEMBL7996100 0.76 HTR1B (0.42) MAPTL3MBTL1MAPK1TDP1HTR1B
SCHEMBL20739298 0.76 CD274 (0.49) CD274PDCD1
SCHEMBL13073739 0.76 ALDH1A1 (0.39) MAPTL3MBTL1MAPK1TDP1HTR1B
SCHEMBL18729182 0.75 CD274 (0.51) CD274MAPTL3MBTL1SMN1; SMN2HTR1A

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-10392405-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2019-08-27 — — US disclosed
US-20190048022-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. 2019-02-14 — — US disclosed
WO-2019032547-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. (US) 2019-02-14 — — 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 (2 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-20190048022-A1 MACROCYCLIC IMMUNOMODULATORS IL2, IL2RA, C3AR1 CD274 79/4885MAPT 4782/4885L3MBTL1 2423/4885
US-10392405-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 CD274 79/4885MAPT 4782/4885L3MBTL1 2423/4885

“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.

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