SCHEMBL21094252

SCHEMBL21094252

CN(C)CCOc1ccc(C(=C2CCCCC2)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.62
ESR2 Q92731 7/20 0.62
PSMB1 P20618 3/20 0.51
PSMB5 P28074 3/20 0.51
PSMB2 P49721 2/20 0.51
HRH3 Q9Y5N1 2/20 0.46
MAPT P10636 3/20 0.44
PGR P06401 3/20 0.44
CHRM2 P08172 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR6 P50406 2/20 0.44
CYP2D6 P10635 2/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ESRRG P62508 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL4726445 0.86 ESR1 (0.75) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL16605498 0.86 ESR1 (0.75) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL4730296 0.86 ESR1 (0.75) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL19700406 0.81 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL4727589 0.81 ESR1 (0.62) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL20750711 0.72 ESR1 (0.59) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL3468471 0.69 ESR1 (0.66) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL3468421 0.69 ESR1 (0.52) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL19699727 0.68 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL4729921 0.68 ESR1 (0.51) ESR1ESR2MAPTPGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874739-B2 Near-IR light-cleavable conjugates and conjugate precursors The Unites States of America, as represented by the Secretary, Department of Health and Human Services (US) 2020-12-29 US disclosed
US-20200121790-A1 NEAR-IR LIGHT-CLEAVABLE CONJUGATES AND CONJUGATE PRECURSORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2020-04-23 US disclosed
US-10561729-B2 Near-IR light-cleavable conjugates and conjugate precursors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-20190167793-A1 NEAR-IR LIGHT-CLEAVABLE CONJUGATES AND CONJUGATE PRECURSORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICE (US) 2019-06-06 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 (4 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-20190167793-A1 NEAR-IR LIGHT-CLEAVABLE CONJUGATES AND CONJUGATE PRECURSORS STRA6, ALDH1A2, DHFR ESR1 1828/4885ESR2 2066/4885PSMB1 2643/4885
US-10561729-B2 Near-IR light-cleavable conjugates and conjugate precursors STRA6, ALDH1A2, DHFR ESR1 1828/4885ESR2 2066/4885PSMB1 2643/4885
US-20200121790-A1 NEAR-IR LIGHT-CLEAVABLE CONJUGATES AND CONJUGATE PRECURSORS STRA6, ALDH1A2, DHFR ESR1 1828/4885ESR2 2066/4885PSMB1 2643/4885
US-10874739-B2 Near-IR light-cleavable conjugates and conjugate precursors STRA6, ALDH1A2, DHFR ESR1 1828/4885ESR2 2066/4885PSMB1 2643/4885

“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.