SCHEMBL20173483

SCHEMBL20173483

NCCCOc1ccc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.37
AKT1 P31749 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CLK2 P49760 1/20 0.33
PRKX P51817 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN2 Q16513 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL20163573 0.98 HTR1B (0.36) HTR1BAKT1DYRK3ROCK2PRKD3
SCHEMBL30150621 0.90 KDM4E (0.42) HTR1BAKT1DYRK3ROCK2PRKD3
SCHEMBL20173461 0.90 KDM4E (0.42) HTR1BAKT1DYRK3ROCK2PRKD3
Hydrochloric Acid SCHEMBL20163561 0.89 KDM4E (0.45) HTR1BAKT1DYRK3ROCK2PRKD3
SCHEMBL13420116 0.82 APP (0.40) HRH3MAPTAPPSNCAPIK3CD
SCHEMBL16809049 0.81 NPC1 (0.43) KDM4EMAPTMEN1NPC1MAPK1
SCHEMBL20190927 0.78 HRH3 (0.31) HRH3MAPT
SCHEMBL461500 0.78 GABRP (0.41) KDM4EMAPTMEN1NPC1MAPK1
SCHEMBL13420133 0.78 PIK3CD (0.42) MAPTKMT2ACYP3A4APPPIK3CD
SCHEMBL9850775 0.78 CYP3A4 (0.51) MAPTMEN1NPC1MAPK1RAB9A

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-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 HTR1B 3848/4885AKT1 1296/4885DYRK3 4391/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 HTR1B 3549/4885AKT1 1663/4885DYRK3 4412/4885

“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.