SCHEMBL19002246

SCHEMBL19002246

CCC(=O)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 3/20 0.55
HTT P42858 3/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 2/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL3245833 0.87 ATM (0.71) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL14642155 0.86 HRH3 (0.54) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL27760871 0.86 LMNA (0.58) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL2841801 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBHTTKDM4E
SCHEMBL321890 0.83 HRH3 (0.78) HRH3ALDH1A1SMN1; SMN2HTTATM
SCHEMBL19002261 0.83 POLB (0.73) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL14496362 0.83 ALDH1A1 (0.49) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19002669 0.83 SMN1; SMN2 (0.52) HRH3ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19002668 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTATMKDM4E
SCHEMBL10226400 0.82 ALDH1A1 (0.50) HRH3ALDH1A1SMN1; SMN2POLBHTT

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 HRH3 3512/4885ALDH1A1 2765/4885SMN1; SMN2 4331/4885

“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.