SCHEMBL21090359

SCHEMBL21090359

CC(C)(C)Cc1ccc(B2OCCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL20078160 0.79 LPL (0.38) LPLLIPG
SCHEMBL21090361 0.79 ESR1 (0.40) ESR1THRATHRBLPLLIPG
SCHEMBL890386 0.79 LPL (0.40) ESR1LPLLIPG
SCHEMBL3686725 0.78
SCHEMBL25379713 0.76 TRPA1 (0.34) LPLLIPG
SCHEMBL14986010 0.76 CHKA (0.35) LPLLIPG
SCHEMBL19865446 0.75 ALDH1A1 (0.39) ESR1
SCHEMBL11887577 0.74 LPL (0.47) ESR1LPLLIPG
SCHEMBL14790147 0.73 LPL (0.61) ESR1LPLLIPG
SCHEMBL7591877 0.72 ACHE (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof GENENTECH, INC. (US) 2023-02-14 US disclosed
US-20190175749-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2019-06-13 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 (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-20190175749-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF NQO1, GSTP1, CYBB ESR1 906/4885THRA 3263/4885THRB 1735/4885
US-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof NQO1, GSTP1, CYBB ESR1 906/4885THRA 3263/4885THRB 1735/4885

“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.