SCHEMBL4177550

SCHEMBL4177550

Cc1cc[n+](CCCCS(=O)(=O)[O-])c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.58
▸ POLB P06746 4/20 0.53
▸ MAPT P10636 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ IDE P14735 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ APEX1 P27695 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PABPC1 P11940 1/20 0.40
▸ EIF4H Q15056 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL19749239 0.96 KDM4E (0.71) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL1002934 0.86 KDM4E (0.57) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL13645489 0.85 KDM4E (0.64) KDM4EPOLBMAPTRECQL
SCHEMBL13686278 0.83 KDM4E (0.62) KDM4EPOLBRECQL
SCHEMBL5708457 0.82 KDM4E (0.58) KDM4EALDH1A1RXFP1POLBMAPT
Water SCHEMBL1048309 0.81 KDM4E (0.57) KDM4EALDH1A1RXFP1POLBMAPT
SCHEMBL16450366 0.79 KDM4E (0.57) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL11579424 0.79 KDM4E (0.51) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL12201165 0.78 KDM4E (0.58) KDM4EALDH1A1POLBRECQLMEN1
SCHEMBL12201171 0.78 KDM4E (0.58) KDM4EALDH1A1POLBRECQLMEN1

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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 — — 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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES FCGR2A, FCGR3B, FCER2 KDM4E 1270/4885ALDH1A1 1730/4885RXFP1 905/4885

“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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