SCHEMBL24323673

SCHEMBL24323673

COc1cc(C(=O)COc2ccc(/C(=C(\C)c3ccccc3)c3ccc(OCCN(C)C)cc3)cc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.62
▸ ESR2 Q92731 7/20 0.57
▸ EBP Q15125 3/20 0.57
▸ DHCR7 Q9UBM7 3/20 0.57
▸ ESRRB O95718 7/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PGR P06401 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ESRRG P62508 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ GBA1 P04062 1/20 0.47

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
SCHEMBL23851091 0.89 ESR1 (0.65) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL23851093 0.89 ESR1 (0.65) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL24322411 0.89 ESR1 (0.65) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL24322285 0.87 ESR1 (0.58) ESR1ESRRBMEN1KMT2ADRD2
SCHEMBL15788563 0.83 ESR1 (0.79) ESR1ESR2EBPDHCR7MAPT
SCHEMBL17164697 0.80 ESR1 (0.89) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL17164708 0.80 ESR1 (0.89) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL18872440 0.78 ESR1 (0.81) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL10829107 0.78 ESR1 (1.00) ESR1ESR2EBPDHCR7ESRRB
SCHEMBL10048291 0.78 ESR1 (1.00) ESR1ESR2EBPDHCR7ESRRB

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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 — — 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 ESR1 2521/4885ESR2 876/4885EBP 769/4885

“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.

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