SCHEMBL19002782

SCHEMBL19002782

CC(=O)N(Cc1ccco1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CYP2C19 P33261 1/20 0.50
THRB P10828 2/20 0.49
PDE4B Q07343 1/20 0.48
UBE2M P61081 6/20 0.47
DCUN1D1 Q96GG9 6/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18997284 0.87 RIPK1 (0.51) HTTCYP2C19THRBPDE4BUBE2M
SCHEMBL24827533 0.85 HTT (0.52) HTTCYP2C19PDE4BUBE2MDCUN1D1
SCHEMBL19049514 0.82 RIPK1 (0.53) HTTCYP2C19THRBPDE4BUBE2M
SCHEMBL21901038 0.81 TSHR (0.51) HTTCYP2C19THRBPDE4BUBE2M
SCHEMBL16373549 0.81 PDE4B (0.52) HTTCYP2C19THRBPDE4BUBE2M
SCHEMBL17788534 0.78 PDE4B (0.49) HTTCYP2C19THRBPDE4BUBE2M
SCHEMBL21393181 0.78 MAPK1 (0.66) ALOX5ALDH1A1MAPK1TSHRKMT2A
SCHEMBL4463285 0.76 ALOX5 (0.56) ALOX5ALDH1A1MAPK1TSHRKMT2A
SCHEMBL11967793 0.75 RIPK1 (0.62) ALOX5ALDH1A1MAPK1TSHRKMT2A
SCHEMBL17983768 0.74 ALOX5 (0.47) CYP2C19ALOX5ALDH1A1MAPK1TSHR

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HTT 4394/4885CYP2C19 4701/4885THRB 1733/4885

“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.