SCHEMBL22465769

SCHEMBL22465769

C=CCc1ccc2c(c1O)C(=O)CC(c1ccccc1OCOC)O2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.57
ELANE P08246 1/20 0.41
ROR1 Q01973 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL22465759 0.87 CACNA1H (0.62) CACNA1HELANEABCB1ABCG2KDM4E
SCHEMBL22465371 0.86 CACNA1H (0.51) CACNA1HROR1ABCB1ABCG2CYP19A1
SCHEMBL22465621 0.83 CACNA1H (0.77) CACNA1HABCG2
SCHEMBL22465740 0.81 KDM4E (0.49) CACNA1HROR1ABCG2KDM4EALDH1A1
SCHEMBL29927617 0.77 CACNA1H (0.76) CACNA1HCYP19A1PDCD1CD274
SCHEMBL22465354 0.77 CACNA1H (0.76) CACNA1HCYP19A1PDCD1CD274
SCHEMBL22465742 0.76 PDCD1 (0.50) CACNA1HELANEROR1ABCB1ABCG2
SCHEMBL22465359 0.76 ROR1 (0.61) ROR1ABCG2KDM4EALDH1A1HPGD
SCHEMBL22465242 0.74 CACNA1H (0.54) CACNA1HABCB1ABCG2PDCD1CD274
SCHEMBL22465607 0.73 CACNA1H (1.00) CACNA1HCYP19A1

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-11479537-B2 T-type calcium channel inhibitor KINKI UNIVERSITY (JP) 2022-10-25 US disclosed
US-20200308132-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2020-10-01 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 (2 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-11479537-B2 T-type calcium channel inhibitor CACNA1H, CACNA1I, CACNA1G CACNA1H 1/4885ELANE 4725/4885ROR1 1712/4885
US-20200308132-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1H, CACNA1I, CACNA1G CACNA1H 1/4885ELANE 4725/4885ROR1 1712/4885

“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.