SCHEMBL22465616

SCHEMBL22465616

C=CCOc1cc(OCOC)cc2c1C(=O)CC(c1ccc(OCOC)c(OCOC)c1)O2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.69
CYP19A1 P11511 3/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL22465225 0.89 ROR1 (0.63) ROR1CYP19A1KDM4EALDH1A1CYP3A4
SCHEMBL22465369 0.87 ROR1 (0.63) ROR1CYP19A1HDAC3HDAC4HDAC1
SCHEMBL22465359 0.85 ROR1 (0.61) ROR1CYP19A1HDAC3HDAC4HDAC1
SCHEMBL14242303 0.84 ROR1 (0.91) ROR1CYP19A1KDM4EALDH1A1CYP3A4
SCHEMBL28320429 0.81 ROR1 (0.68) ROR1CYP19A1HDAC6KDM4EALDH1A1
SCHEMBL13708477 0.81 ROR1 (0.82) ROR1CYP19A1KDM4EALDH1A1CYP3A4
SCHEMBL22465743 0.79 PDCD1 (0.55) ROR1CYP19A1HDAC6ALDH1A1CYP3A4
SCHEMBL16099332 0.76 ROR1 (0.67) ROR1CYP19A1KDM4EALDH1A1CYP3A4
SCHEMBL15945904 0.76 ROR1 (0.77) ROR1CYP19A1KDM4EALDH1A1CYP3A4
SCHEMBL22465740 0.73 KDM4E (0.49) ROR1CYP19A1KDM4EALDH1A1CYP3A4

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 ROR1 1712/4885CYP19A1 4041/4885HDAC3 560/4885
US-20200308132-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1H, CACNA1I, CACNA1G ROR1 1712/4885CYP19A1 4041/4885HDAC3 560/4885

“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.