SCHEMBL21297072

SCHEMBL21297072

CC(C)(C)C(=O)c1ccc2oc(C(C)(C)C)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 3/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 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
SCHEMBL977779 0.85 TP53 (0.49) HDAC6ALOX15MEN1KMT2ATP53
SCHEMBL23051194 0.83 KDM4E (0.45) HDAC6ALOX15MEN1KMT2ATP53
SCHEMBL981580 0.81 TP53 (0.52) HDAC6ALOX15MEN1KMT2ATP53
SCHEMBL26054575 0.77 CA9 (0.53) ALOX15MEN1KMT2ATP53SMN1; SMN2
SCHEMBL16722810 0.74 CES2 (0.46) ALOX15MEN1KMT2ATP53SMN1; SMN2
SCHEMBL979646 0.74 TP53 (0.48) TP53CA2KDM4ELMNAMAOA
SCHEMBL12640272 0.74 ALDH1A1 (0.41) HDAC6TP53CLK1DYRK1ADYRK1B
SCHEMBL12597509 0.73 CTNNB1 (0.55)
SCHEMBL12795524 0.73 LMNA (0.51) TP53CLK1DYRK1ADYRK1BSMN1; SMN2
SCHEMBL28320126 0.73 TP53 (0.47) TP53CLK1DYRK1ADYRK1BSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore PFIZER INC. (US) 2022-06-21 US disclosed
US-20210061923-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE PFIZER INC. (US) 2021-03-04 US disclosed
US-10870706-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore PFIZER INC. (US) 2020-12-22 US disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 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 (4 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-20210061923-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE CCNI, TTI1, TTI2 HDAC6 2147/4885ALOX15 2536/4885MEN1 620/4885
US-10870706-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore CCNI, TTI1, TTI2 HDAC6 2147/4885ALOX15 2536/4885MEN1 620/4885
US-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 HDAC6 616/4885ALOX15 3596/4885MEN1 3380/4885
US-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore CCNI, TTI1, TTI2 HDAC6 2147/4885ALOX15 2536/4885MEN1 620/4885

“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.