SCHEMBL22778685

SCHEMBL22778685

CCCCC(C)(CC)c1cnc(CCC)nc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL19251086 0.82 ESR1 (0.33) ESR1ESR2
SCHEMBL22065943 0.81 ESR1 (0.31) ESR1ESR2
SCHEMBL22778709 0.79 CNR2 (0.36)
SCHEMBL22752628 0.79 CNR2 (0.36)
SCHEMBL19232053 0.78 TUBB4A (0.32)
SCHEMBL22752545 0.77 ESR1 (0.33) ESR1ESR2
SCHEMBL19245813 0.77 CYP19A1 (0.40) ESR1ESR2
SCHEMBL19251179 0.76 CNR2 (0.36)
SCHEMBL22752349 0.76 CNR2 (0.36)
SCHEMBL22752538 0.76 NUDT1 (0.33)

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B ESR1 2906/4885ESR2 3532/4885

“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.