SCHEMBL25827939

SCHEMBL25827939

CC(C)(C)CCCOCC(=O)Cc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PLA2G4B P0C869 3/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TTR P02766 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
PPARG P37231 1/20 0.31
HTR2B P41595 1/20 0.31
PPARA Q07869 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CISD1 Q9NZ45 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
SCHEMBL25826612 0.82 FFAR1 (0.37) ESR1THRATHRBRAB9AALDH1A1
SCHEMBL25827946 0.74 HRH3 (0.43) ESR1THRATHRBHRH3TDP1
SCHEMBL13075828 0.69 CYP1A2 (0.41) PLA2G4BRAB9AHRH3CYP1A2SMN1; SMN2
SCHEMBL25826613 0.69 ESR1 (0.37) ESR1THRATHRBHRH3MAPT
SCHEMBL9244144 0.68 ESR1 (0.56) ESR1THRATHRBTSHRTDP1
SCHEMBL25827940 0.68 CES2 (0.55) HRH3
SCHEMBL9571886 0.67 ESR1 (0.46) ESR1PLA2G4BRAB9ACYP1A2SMN1; SMN2
SCHEMBL26261906 0.67 CES2 (0.44) HRH3ALDH1A1
SCHEMBL26441689 0.67 ESR1 (0.54) ESR1THRATHRBALDH1A1KDM4E
SCHEMBL26397820 0.66 KMT2A (0.49) ESR1THRATHRBSMN1; SMN2MAPT

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 ESR1 1503/4885THRA 2920/4885THRB 3202/4885

“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.