SCHEMBL22320676

SCHEMBL22320676

COC1CCC(c2nccc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
OGA O60502 1/20 0.33
DPP4 P27487 1/20 0.32
SMYD2 Q9NRG4 2/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL28561045 1.00 GRM5 (0.36) GRM5GRM1OGADPP4SMYD2
SCHEMBL20972733 0.88 GRM5 (0.35) GRM5GRM1SMYD2
SCHEMBL22262251 0.88 GRM5 (0.35) GRM5GRM1SMYD2
SCHEMBL20972734 0.88 GRM5 (0.35) GRM5GRM1SMYD2
SCHEMBL22262675 0.86 GRM5 (0.33) GRM5GRM1SMYD2
SCHEMBL22262674 0.86 GRM5 (0.33) GRM5GRM1SMYD2
SCHEMBL22262746 0.86 GRM5 (0.32) GRM5GRM1SMYD2
SCHEMBL22262749 0.86 GRM5 (0.32) GRM5GRM1SMYD2
SCHEMBL22262847 0.86 GRM5 (0.32) GRM5GRM1SMYD2
SCHEMBL20972562 0.86 GRM5 (0.34) GRM5GRM1SMYD2

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
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 GRM5 4691/4885GRM1 4210/4885OGA 3850/4885

“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.