SCHEMBL26423539

SCHEMBL26423539

CCCN1CC(Oc2ccc([C@@H]3c4c(c5ccccc5n4C)CCN3CC(C)(C)C)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.39
▸ SLC6A4 P31645 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HTR5A P47898 6/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL16373144 0.77 ABCB1 (0.47) ESR1SLC6A4HTR5AABCB1ABCG2
SCHEMBL21012023 0.76 ESR1 (0.58) ESR1KDM4EALDH1A1ABCG2MAPT
SCHEMBL23793705 0.76 ESR1 (0.58) ESR1KDM4EALDH1A1ABCG2MAPT
SCHEMBL13877241 0.69 SLC6A4 (0.47) SLC6A4HTR5AKDM4EALDH1A1ABCB1
SCHEMBL24443798 0.67 ESR1 (0.54) ESR1KDM4EALDH1A1ABCB1ABCG2
SCHEMBL26424146 0.67 ESR1 (0.67) ESR1
Palazestrant SCHEMBL23280512 0.66 ESR1 (0.78) ESR1
Palazestrant SCHEMBL24885107 0.66 ESR1 (0.78) ESR1
Palazestrant SCHEMBL20528170 0.66 ESR1 (0.78) ESR1
Palazestrant SCHEMBL30128723 0.66 ESR1 (0.78) 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-20230129598-A1 METHODS OF TREATING ESTROGEN RECEPTOR-ASSOCIATED DISEASES OLEMA PHARMACEUTICALS, INC. 2023-04-27 — — 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-20230129598-A1 METHODS OF TREATING ESTROGEN RECEPTOR-ASSOCIATED DISEASES ESRRB, ESRRG, ESRRA ESR1 6/4885SLC6A4 2019/4885HDAC6 899/4885

“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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