SCHEMBL19002806

SCHEMBL19002806

CCC(=O)N1CCNC(Cc2cccc(OC)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.47
EED O75530 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 2/20 0.41
BRS3 P32247 1/20 0.41

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
SCHEMBL4281534 0.89 CCR3 (0.49) CCR3EEDSIGMAR1KDM4EALDH1A1
SCHEMBL19049075 0.89 CCR3 (0.51) CCR3EEDSIGMAR1KDM4EALDH1A1
SCHEMBL21169224 0.86 CCR3 (0.47) CCR3EEDSIGMAR1KDM4EALDH1A1
SCHEMBL19002803 0.84 CA1 (0.44) CCR3ALDH1A1CA1CA2CA4
SCHEMBL13705102 0.84 CCR3 (0.45) CCR3EEDKDM4EALDH1A1CA1
SCHEMBL6132670 0.84 CCR3 (0.45) CCR3EEDKDM4EALDH1A1CA1
SCHEMBL19002804 0.83 CA1 (0.58) ALDH1A1CA1CA2CA4CA9
SCHEMBL19002465 0.80 KRAS (0.47)
Hydrochloric Acid SCHEMBL6133157 0.79 RHOA (0.52) CCR3ALDH1A1CA1CA2CA4
SCHEMBL23222258 0.78 SLC6A4 (0.45) EEDSIGMAR1KDM4EALDH1A1

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 CCR3 910/4885EED 2517/4885SIGMAR1 4190/4885

“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.