SCHEMBL19713041

SCHEMBL19713041

CC(C)Oc1cccc2ccc3ccc(=O)[nH]c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
MCHR1 Q99705 1/20 0.41
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CDK1 P06493 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL19713074 0.83 CA12 (0.50) CA9CA12MAPTCA1CA7
SCHEMBL19713077 0.79 GRK6 (0.50) CA9CA12MAPTCA1CA2
SCHEMBL1114643 0.74 CA12 (0.55) CA9CA12MAPTCA1CA7
SCHEMBL8919857 0.70 CA12 (0.55) CA9CA12CYP1A2CA1CA7
SCHEMBL19713049 0.70 CA12 (0.76) CA9CA12MAPTCA1CA7
SCHEMBL19713068 0.70 CA12 (0.76) CA9CA12MAPTCYP1A2CA1
SCHEMBL14236946 0.70 CA12 (0.55) CA9CA12MAPTCYP1A2CA1
SCHEMBL30714888 0.70 CA12 (0.55) CA9CA12MAPTCYP1A2CA1
SCHEMBL1978356 0.69 CA12 (0.49) CA9CA12MAPTCA1CA7
SCHEMBL98175 0.69 CA12 (0.49) CA9CA12MAPTCA1CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 CA9 563/4885CA12 148/4885MCHR1 3131/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 CA9 602/4885CA12 163/4885MCHR1 3180/4885

“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.