SCHEMBL17323012

SCHEMBL17323012

O=C(O)c1cc2c(=O)c3c4c(c(=O)c5cc(C(=O)O)cc6c(=O)c(c1)c2c4c56)=CCC=3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.34
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ TPMT P51580 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SELL P14151 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SELP P16109 1/20 0.31
▸ FUT4 P22083 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31

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
SCHEMBL17326823 0.64 CA12 (0.42) TTRCA12CA1CA2CA7
SCHEMBL31456900 0.60 MEN1 (0.52) TTRCA12CA1CA2CA7
SCHEMBL28508926 0.60 MEN1 (0.52) TTRCA12CA1CA2CA7
SCHEMBL22982 0.59 CA12 (0.65) TTRCA12CA1CA2CA7
SCHEMBL26189 0.59 CA12 (0.65) TTRCA12CA1CA2CA7
SCHEMBL10064450 0.58 TTR (0.51) TTRCA12CA1CA2CA7
Cyclohexane SCHEMBL30007532 0.57 CA12 (0.55) TTRCA12CA1CA2CA7
SCHEMBL29659433 0.57 CA12 (0.48) TTRCA12CA1CA2CA7
SCHEMBL335300 0.57 CA12 (0.48) TTRCA12CA1CA2CA7
SCHEMBL31437041 0.57 TTR (0.49) TTRCA12CA1CA2CA9

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-9725396-B2 Active material, and sodium ion battery and lithium ion battery using the same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2017-08-08 — — US disclosed
US-20150357631-A1 ACTIVE MATERIAL, AND SODIUM ION BATTERY AND LITHIUM ION BATTERY USING THE SAME OSAKA UNIVERSITY (JP) 2015-12-10 — — 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-20150357631-A1 ACTIVE MATERIAL, AND SODIUM ION BATTERY AND LITHIUM ION BATTERY USING THE SAME CACNA1I, CA3, CACNA1G TTR 1704/4885CA12 49/4885CA1 7/4885

“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