SCHEMBL785095

SCHEMBL785095

COC(=O)c1ccc2c(c1)C(NC(=O)c1cc(C)on1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
DHODH Q02127 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
WDR5 P61964 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL785096 1.00 TSHR (0.60) TSHRDHODHPDE4APDE4BPDE4C
SCHEMBL785528 0.89 TSHR (0.62) TSHRDHODHPDE4APDE4BPDE4C
SCHEMBL785379 0.89 TSHR (0.62) TSHRDHODHPDE4APDE4BPDE4C
SCHEMBL803183 0.82 TSHR (0.53) TSHRDHODHKMT2APOLBMEN1
SCHEMBL803740 0.81 PDE4A (0.46) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL803541 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL803715 0.79 PDE4A (0.50) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL2816864 0.79 TAS1R3 (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL15227062 0.79 PDE4A (0.50) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL2816865 0.79 TAS1R3 (0.57) PDE4APDE4BPDE4CPDE4DKMT2A

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TSHR 586/4885DHODH 1180/4885PDE4A 944/4885

“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.