SCHEMBL9239372

SCHEMBL9239372

CC(C)(C)COC(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.37
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MIF P14174 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18938843 0.87 MCL1 (0.37) MCL1KMT2AMEN1
SCHEMBL13446697 0.87 MCL1 (0.37) MCL1KMT2AMEN1
SCHEMBL13446632 0.82 MCL1 (0.39) MCL1KMT2AMEN1
SCHEMBL4911744 0.80 KMT2A (0.34) KMT2AMIFCYP2C19
SCHEMBL14582197 0.79 MCL1 (0.36) MCL1KMT2AMEN1
SCHEMBL10900754 0.78 HTT (0.45) MCL1CYP2C19
SCHEMBL13446683 0.77 MCL1 (0.34) MCL1
SCHEMBL13411806 0.76 MEN1 (0.31) KMT2AMEN1
SCHEMBL27496508 0.76 MCL1 (0.46) MCL1KMT2AMEN1
SCHEMBL15709925 0.75 MCL1 (0.33) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11633415-B2 Compounds and methods useful for treating or preventing cancers THE BROAD INSTITUTE, INC. (US) 2023-04-25 US disclosed
US-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2022-03-31 US disclosed
WO-2018183936-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2018-10-04 WO disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5386047-A Monomers for heat resistant, high bonding strength cyanoacrylate adhesives LOCTITE CORPORATION (US) 1995-01-31 US disclosed
EP-0470722-B1 Novel alpha-cyanoacrylate and adhesive composition THREE BOND CO LTD (JP) 1994-03-02 EP disclosed
US-5290838-A Nonwhitening cyanoacrylate copolymers THREE BOND CO., LTD. (JP) 1994-03-01 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5175337-A Heat resistant adhesives for quick strong bonds THREE BOND CO., LTD. (JP) 1992-12-29 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0470722-A1 Novel alpha-cyanoacrylate and adhesive composition THREE BOND CO., LTD. (JP) 1992-02-12 EP disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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-20220096513-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS CSNK1A1, CSNK2A1, CSNK2A3 MCL1 4/4885KMT2A 74/4885MEN1 1939/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 MCL1 4/4885KMT2A 74/4885MEN1 1939/4885

“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.