SCHEMBL19035897

SCHEMBL19035897

COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)N3)NC(=O)[C@@H]1C[C@@H](O)CN1C2=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALPL P05186 5/20 0.31

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
SCHEMBL18973168 1.00 KDM4E (0.31) KDM4EALPL
SCHEMBL17489316 0.92 POLB (0.36) KDM4E
SCHEMBL19657863 0.89 AURKA (0.34)
SCHEMBL17476448 0.89 AURKA (0.34)
SCHEMBL22166375 0.89 POLB (0.33) KDM4E
SCHEMBL20433740 0.89 KDM4E (0.37) KDM4E
SCHEMBL14090164 0.89 HTR2A (0.33) KDM4E
SCHEMBL13422023 0.88 KDM4E (0.37) KDM4E
SCHEMBL5926038 0.88 KDM4E (0.37) KDM4E
SCHEMBL12347417 0.87

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-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 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 (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-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 KDM4E 2095/4885ALPL 4466/4885

“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.