SCHEMBL19770698

SCHEMBL19770698

Cc1cc(C(C)(C)C)c(OC(=O)C2(C)CC2)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 1/20 0.35
HSPA5 P11021 1/20 0.35

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
SCHEMBL17824836 0.91 ALDH1A1 (0.37) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL5156872 0.81 CYP3A4 (0.37) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8407409 0.77 ALDH1A1 (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL295477 0.76 ALDH1A1 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2127105 0.75 VCAM1 (0.36) SMN1; SMN2VCAM1HSPA5
SCHEMBL6912228 0.74 VCAM1 (0.49) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8094382 0.74 ALDH1A1 (0.45) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3999963 0.73 ATM (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL10743671 0.73 POLB (0.46) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL17171717 0.72 ALDH1A1 (0.44) ALDH1A1CA2POLBTYRSMN1; SMN2

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-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 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-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG PARG, PARP15, PARP12 ALDH1A1 1788/4885CA2 1579/4885POLB 167/4885

“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.