SCHEMBL30744270

SCHEMBL30744270

COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2C(OP(=O)(O)Oc2ccccc2Cl)[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)Oc2ccccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ TERT O14746 1/20 0.32
▸ F2 P00734 1/20 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
SCHEMBL17964376 1.00 KDM4E (0.36) KDM4ETERTF2
SCHEMBL17964373 0.94 KDM4E (0.32) KDM4E
SCHEMBL29540302 0.94 KDM4E (0.32) KDM4E
SCHEMBL16574864 0.94 KDM4E (0.40) KDM4ETERTF2
SCHEMBL31683968 0.92 KDM4E (0.34) KDM4E
SCHEMBL16289573 0.92 KDM4E (0.34) KDM4E
SCHEMBL31683959 0.92 KDM4E (0.34) KDM4E
SCHEMBL16288861 0.92 KDM4E (0.34) KDM4E
SCHEMBL31684002 0.92 TERT (0.31) TERT
SCHEMBL17964380 0.92 TERT (0.31) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R KDM4E 4623/4885TERT 2851/4885F2 2917/4885

“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.

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