SCHEMBL19083821

SCHEMBL19083821

CCC(C)C(NC(=O)c1ccc(OC2CCNCC2)c(OC)c1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
PDE4A P27815 6/20 0.52
PDE4B Q07343 6/20 0.52
PDE4C Q08493 6/20 0.52
PDE4D Q08499 6/20 0.52
TOP2A P11388 1/20 0.49
UTS2R Q9UKP6 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.43

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
SCHEMBL20697674 0.86 KMT2A (0.57) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL19083822 0.86 KMT2A (0.57) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL31389146 0.84 TAS1R3 (0.63) TAS1R3TAS1R1
SCHEMBL26148924 0.84 TAS1R3 (0.63) TAS1R3TAS1R1
SCHEMBL19083995 0.83 TAS1R3 (0.62) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL19083996 0.79 TAS1R3 (0.64) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL31389134 0.72 TAS1R3 (0.68) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL26148923 0.72 TAS1R3 (0.68) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL19083824 0.71 POLB (0.49) PDE4APDE4BPDE4CPDE4DUTS2R
Hydrochloric Acid SCHEMBL3593654 0.70 AKR1C3 (0.47) PDE4APDE4BPDE4CPDE4DUTS2R

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TAS1R3 2742/4885TAS1R1 2598/4885PDE4A 449/4885

“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.