SCHEMBL21496962

SCHEMBL21496962

CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 1.00
CYP19A1 P11511 7/20 0.72
CYP3A4 P08684 4/20 0.72
ESR2 Q92731 8/20 0.68
MAPT P10636 3/20 0.68
CYP1A2 P05177 2/20 0.68
MEN1 O00255 2/20 0.68
TP53 P04637 2/20 0.68
KMT2A Q03164 2/20 0.68
PSMB1 P20618 2/20 0.68
PSMB5 P28074 2/20 0.68
NPC1 O15118 1/20 0.68
NR1I2 O75469 1/20 0.68
PRKD3 O94806 1/20 0.68
ABCB11 O95342 1/20 0.68
EGFR P00533 1/20 0.68
GBA1 P04062 1/20 0.68
NR3C1 P04150 1/20 0.68
ERBB2 P04626 1/20 0.68
PRKCG P05129 1/20 0.68

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
SCHEMBL23671979 1.00 ESR1 (1.00) ESR1CYP19A1CYP3A4ESR2MAPT
Iodide SCHEMBL30559876 0.99 ESR1 (1.00) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL9452012 0.92 ESR1 (0.84) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL4752564 0.90 ESR1 (0.82) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL4752565 0.90 ESR1 (0.82) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL6947496 0.88 ESR1 (0.79) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL6948715 0.88 ESR1 (0.79) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL6946928 0.87 ESR1 (0.82) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL16579225 0.86 CYP19A1 (0.78) ESR1CYP19A1CYP3A4ESR2MAPT
SCHEMBL84895 0.86 CYP19A1 (0.78) ESR1CYP19A1CYP3A4ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies WASHINGTON UNIVERSITY (US) 2024-03-19 US disclosed
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY 2021-07-29 US disclosed
WO-2019204764-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY (US) 2019-10-24 WO 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 (2 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-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies SERPINA2, FABP1, TTR ESR1 4834/4885CYP19A1 3711/4885CYP3A4 4382/4885
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES SERPINA2, FABP1, TTR ESR1 4834/4885CYP19A1 3711/4885CYP3A4 4382/4885

“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.