SCHEMBL25827946

SCHEMBL25827946

CC(C)(C)CCCOCCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
ESR1 P03372 1/20 0.42
KCNH2 Q12809 3/20 0.40
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASR P41180 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
SCHEMBL28984108 0.79 HRH3 (0.44) HRH3KCNH2
SCHEMBL25826613 0.79 ESR1 (0.37) HRH3ESR1THRATHRBCASR
SCHEMBL13039961 0.77 ESR1 (0.54) ESR1THRATHRB
SCHEMBL25827944 0.76 HRH3 (0.36) HRH3KCNH2
SCHEMBL25827939 0.74 ESR1 (0.40) HRH3ESR1KCNH2THRATHRB
SCHEMBL18503215 0.74 TDP1 (0.53) HRH3TDP1L3MBTL1
SCHEMBL18503192 0.74 TDP1 (0.53) HRH3TDP1L3MBTL1
SCHEMBL18503221 0.74 TDP1 (0.53) HRH3TDP1L3MBTL1
SCHEMBL18503223 0.74 TDP1 (0.53) HRH3TDP1L3MBTL1
SCHEMBL18503188 0.74 TDP1 (0.53) HRH3TDP1L3MBTL1

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-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS HRH3 2453/4885ESR1 1503/4885KCNH2 4565/4885

“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.