SCHEMBL15835877

SCHEMBL15835877

BrCc1ccc(C[n+]2ccc(-c3ccc(-c4ccc(-c5cc[n+](Cc6ccc(CBr)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 14/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL15835871 1.00 CHKA (0.56) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL25459981 0.98 CHKA (0.53) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL17969131 0.90 CHKA (0.57) CHKAKDM4EALDH1A1RAB9AACHE
SCHEMBL19646819 0.82 CHKA (0.49) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL1108037 0.80 CHKA (0.70) CHKAKDM4EALDH1A1RAB9AACHE
SCHEMBL25459980 0.79 KDM4E (0.45) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL679626 0.78 TSHR (0.56) ALDH1A1
SCHEMBL9609757 0.78 TSHR (0.56) ALDH1A1
SCHEMBL14557472 0.77 CHKA (0.67) CHKAKDM4EALDH1A1RAB9AACHE
SCHEMBL13851327 0.76 CHKA (0.71) CHKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290495-B2 Tetracationic cyclophanes and their use in the sequestration of polyaromatic hydrocarbons by way of complexation NORTHWESTERN UNIVERSITY (US) 2016-03-22 — — US disclosed
US-9290495-B2 Tetracationic cyclophanes and their use in the sequestration of polyaromatic hydrocarbons by way of complexation NORTHWESTERN UNIVERSITY (US) 2016-03-22 — — US disclosed
WO-2014100691-A1 TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION NORTHWESTERN UNIVERSITY (US) 2014-06-26 — — WO disclosed
US-20140179017-A1 TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION ENERGY, UNITED STATES DEPARTMENT OF 2014-06-26 — — US disclosed
US-20140179017-A1 TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION ENERGY, UNITED STATES DEPARTMENT OF 2014-06-26 — — 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-20140179017-A1 TETRACATIONIC CYCLOPHANES AND THEIR USE IN THE SEQUESTRATION OF POLYAROMATIC HYDROCARBONS BY WAY OF COMPLEXATION PRDX5, CYCS, PRDX1 CHKA 4334/4885KDM4E 3246/4885ALDH1A1 3088/4885

“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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