SCHEMBL12414746

SCHEMBL12414746

CCCc1cccc(C(C)C)c1C1C(=O)c2ccc3c4ccc5c6ccc7c8c(ccc(c9ccc(c%10ccc(c2c3%10)C1=O)c4c59)c86)C(=O)N(c1ccc(S(=O)(=O)O)cc1)C7=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ ANPEP P15144 3/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SCN2A Q99250 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ TYMS P04818 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL12414750 0.92 NPC1 (0.34) CA12CA1CA2CA9ANPEP
SCHEMBL13521564 0.88 ANPEP (0.39) CA12CA1CA2CA9ANPEP
SCHEMBL13521560 0.80 ANPEP (0.40) CA12CA1CA2CA9ANPEP
SCHEMBL15509053 0.76 CA9 (0.44) CA12CA1CA2CA9ANPEP
SCHEMBL17975107 0.74 ANPEP (0.53) ANPEPDPP4MEN1NPC1KMT2A
SCHEMBL26763060 0.73 CA1 (0.61) CA12CA1CA2CA9SCN2A
SCHEMBL13521562 0.72 ANPEP (0.36) ANPEPDPP4
SCHEMBL12414745 0.71 ANPEP (0.35) ANPEPDPP4
SCHEMBL15942814 0.70 CA12 (0.48) CA12CA1CA2CA9ANPEP
SCHEMBL17690521 0.68 NPC1 (0.41) CA12CA1CA2CA9ANPEP

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-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2011-07-07 — — US disclosed
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2011-07-07 — — 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-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE CA12 1441/4885CA1 2569/4885CA2 3425/4885

“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.

Send feedback