SCHEMBL13315792

SCHEMBL13315792

CCCCCc1ccc(-c2cn(-c3cc4ccc(O)cc4oc3=O)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ S1PR1 P21453 4/20 0.44
▸ AKR1B10 O60218 5/20 0.44
▸ AKR1B1 P15121 5/20 0.44
▸ ESRRB O95718 1/20 0.43
▸ ESRRA P11474 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ AKR1A1 P14550 2/20 0.42
▸ CBR1 P16152 2/20 0.42
▸ AKR1C4 P17516 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1C1 Q04828 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL13315783 0.87 MEN1 (0.49) CA12CA1CA2CA9S1PR1
SCHEMBL13315798 0.86 CA12 (0.45) CA12CA1CA2CA9S1PR1
SCHEMBL13315789 0.84 MIF (0.56) S1PR1MEN1KMT2ANPC1RAB9A
SCHEMBL13315805 0.83 CA12 (0.47) CA12CA1CA2CA9S1PR1
SCHEMBL13315790 0.82 MIF (0.54) NPC1ATMABCB1
SCHEMBL18523587 0.77 ESR2 (0.67) AKR1B10AKR1B1MEN1KMT2AAKR1A1
SCHEMBL25853393 0.76 ESR2 (0.65) AKR1B10AKR1B1MEN1KMT2AAKR1A1
SCHEMBL32687713 0.76 ESRRB (0.37) ESRRBESRRAMEN1KMT2AGLA
SCHEMBL10069265 0.73 ADRA1A (0.35) CA12CA1CA2CA9L3MBTL1
SCHEMBL13315793 0.73 TDP1 (0.47) CA12CA9MEN1KMT2ANPC1

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-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK CA12 283/4885CA1 558/4885CA2 824/4885

“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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