SCHEMBL25459980

SCHEMBL25459980

BrCc1ccc(C[n+]2ccc(-c3cc[n+](Cc4cccc(C[n+]5ccc(-c6ccncc6)cc5)c4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CHKA P35790 10/20 0.44
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL19646819 0.89 CHKA (0.49) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL13561376 0.89 CHKA (0.53) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL25459998 0.85 PRKCI (0.55) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL25460377 0.85 KDM4E (0.65) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL9999526 0.82 CHKA (0.52) KDM4EALDH1A1RAB9ACHKABCHE
Hydrochloric Acid SCHEMBL7166354 0.81 ALDH1A1 (0.66) KDM4EALDH1A1RAB9ACHKALMNA
SCHEMBL1108034 0.81 ALDH1A1 (0.66) KDM4EALDH1A1RAB9ACHKALMNA
Bromide SCHEMBL15361681 0.81 CHKA (0.55) KDM4EALDH1A1RAB9ACHKABCHE
SCHEMBL25459981 0.80 CHKA (0.53) KDM4EALDH1A1RAB9ACHKABCHE
Bromide SCHEMBL19534954 0.80 KDM4E (0.45) KDM4EALDH1A1RAB9ACHKALMNA

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-20230144367-A1 MECHANICAL-BOND-PROTECTED STABLE BISRADICALS NORTHWESTERN UNIVERSITY 2023-05-11 — — US disclosed
US-20230144367-A1 MECHANICAL-BOND-PROTECTED STABLE BISRADICALS NORTHWESTERN UNIVERSITY 2023-05-11 — — 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-20230144367-A1 MECHANICAL-BOND-PROTECTED STABLE BISRADICALS CAT, CYCS, SOD1 KDM4E 3361/4885ALDH1A1 3861/4885RAB9A 2299/4885

“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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