SCHEMBL25459998

SCHEMBL25459998

OCc1ccc(C[n+]2ccc(-c3cc[n+](Cc4cccc(C[n+]5ccc(-c6ccncc6)cc5)c4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.55
▸ CHKA P35790 9/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 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
SCHEMBL13561376 0.89 CHKA (0.53) PRKCICHKAKDM4EALDH1A1RAB9A
SCHEMBL25460377 0.85 KDM4E (0.65) PRKCICHKAKDM4EALDH1A1RAB9A
SCHEMBL25459980 0.85 KDM4E (0.45) PRKCICHKAKDM4EALDH1A1RAB9A
SCHEMBL9999526 0.82 CHKA (0.52) CHKAKDM4EALDH1A1RAB9ABCHE
Hydrochloric Acid SCHEMBL7166354 0.81 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9ALMNA
SCHEMBL1108034 0.81 ALDH1A1 (0.66) CHKAKDM4EALDH1A1RAB9ALMNA
Bromide SCHEMBL15361681 0.81 CHKA (0.55) CHKAKDM4EALDH1A1RAB9ABCHE
Bromide SCHEMBL10969375 0.79 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL28357009 0.79 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL27637987 0.79 ALDH1A1 (0.64) CHKAKDM4EALDH1A1RAB9ALMNA

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-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 PRKCI 3644/4885CHKA 3229/4885KDM4E 3361/4885

“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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