SCHEMBL7799403

SCHEMBL7799403

CCc1ccc(CC)n1-c1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
RECQL P46063 1/20 0.44
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
ALOX5 P09917 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL30464689 0.75 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2019468 0.75 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12900954 0.69 ALDH1A1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13990877 0.67 KDM4E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15984783 0.67 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15984953 0.67 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL91367 0.66
SCHEMBL25695217 0.66 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19275969 0.66 MAPK1 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14896610 0.65 KDM4E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL HTR3E 1897/4885HTR3B 1381/4885HTR3A 1071/4885

“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.