SCHEMBL26522784

SCHEMBL26522784

CC(C)Oc1ccc(C(C)(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
ACACB O00763 5/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SYK P43405 1/20 0.35
ACACA Q13085 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MAP4K4 O95819 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25450352 0.85 POLB (0.31)
SCHEMBL12925416 0.83 TRPV4 (0.47) ALDH1A3ACACBKMT2AALDH1A1SYK
SCHEMBL25094586 0.83 GRIN2B (0.35) KMT2AALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL22148843 0.80 ABL1 (0.40)
SCHEMBL20249448 0.79 CHEK1 (0.37)
SCHEMBL10220768 0.78 CA12 (0.42) KMT2AALDH1A1
SCHEMBL17420756 0.75 KMT2A (0.44) ACACBKMT2AALDH1A1PARP10ACACA
SCHEMBL30628193 0.75 KMT2A (0.44) ACACBKMT2AALDH1A1PARP10ACACA
SCHEMBL30087593 0.75 PARP10 (0.46) ACACBKMT2AALDH1A1TP53PARP10
SCHEMBL12710188 0.74 NQO1 (0.50) KMT2AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR ALDH1A3 2408/4885ACACB 2929/4885KMT2A 4173/4885

“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.