SCHEMBL25519028

SCHEMBL25519028

C/C=C/c1ccc(C(OC)=C2C3CC4CC(C3)CC2C4)cc1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.40
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL25519026 0.87 ESR1 (0.40) ESR1
SCHEMBL19204565 0.85 ESR1 (0.56) ESR1CYP1A2
SCHEMBL31014158 0.85 ESR1 (0.42) ESR1CYP1A1CYP1A2CYP1B1
SCHEMBL19204574 0.85 ESR1 (0.48) ESR1
SCHEMBL31014156 0.83 ESR1 (0.41) ESR1CYP1A1CYP1A2CYP1B1
SCHEMBL31014141 0.83 CYP1A1 (0.45) ESR1CYP1A1CYP1A2CYP1B1
SCHEMBL31014165 0.83 ESR1 (0.43) ESR1CYP1A1CYP1A2CYP1B1
Iodide SCHEMBL31014149 0.82 ESR1 (0.40) ESR1CYP1A1CYP1A2CYP1B1
SCHEMBL31014154 0.82 NPC1 (0.40) ESR1
SCHEMBL25519032 0.79 ESR1 (0.33) ESR1

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-11649475-B2 Dioxetane compounds and their use for the detection of microorganisms RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-05-16 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-11649475-B2 Dioxetane compounds and their use for the detection of microorganisms DAXX, LITAF, EDF1 ESR1 1223/4885CYP1A1 12/4885CYP1A2 208/4885

“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.