SCHEMBL19002809

SCHEMBL19002809

CCCC(=O)NCC1COc2ccccc2O1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.71
AIMP2 Q13155 5/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL18997644 0.86 MTNR1A (0.66) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL19049397 0.86 MTNR1A (0.66) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL21416050 0.83 MTNR1A (0.70) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL21348630 0.83 MTNR1A (0.70) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL15526245 0.83 AIMP2 (0.59) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL15526246 0.83 AIMP2 (0.59) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL15526244 0.83 AIMP2 (0.59) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL7202212 0.83 MTNR1A (1.00) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL17656930 0.83 AIMP2 (0.49) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL25337575 0.82 AIMP2 (1.00) MTNR1AAIMP2CYP1A2CYP2D6CYP2C9

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 MTNR1A 1704/4885AIMP2 4338/4885CYP1A2 4411/4885

“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.