SCHEMBL9618201

SCHEMBL9618201

COC(=O)c1cc2cc(C(=O)OC)c(C(=O)OC)cc2cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
ATM Q13315 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL28694398 0.97 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL26882982 0.89 KDM4E (0.60) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL829753 0.88 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL29438041 0.85 KDM4E (0.61) CA12CA1CA2CA7CA9
SCHEMBL68218 0.85 KDM4E (0.61) CA12CA1CA2CA7CA9
SCHEMBL18952948 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL9480503 0.84 CFTR (0.45) CA12CA1CA2CA7CA9
SCHEMBL10479344 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL17922667 0.83 CYP2A6 (0.50) CA12CA1CA2CA7CA9
SCHEMBL30151494 0.83 PTPN11 (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4089453-A None JP disclosed
US-9676686-B2 Liquid crystal composition containing nitrogen-containing cyclic compound and liquid crystal display device JNC CORPORATION (JP) 2017-06-13 US disclosed
US-9631142-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-04-25 US disclosed
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-07-21 US disclosed
US-20160090534-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-31 US disclosed
JP-H0489453-A SEPARATION AND PURIFICATION OF TETRACARBOXYLIC ACID NKK CORP 1992-03-23 JP 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 (2 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-20160090534-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE MBD2, SSB, MBTD1 CA12 3265/4885CA1 725/4885CA2 2140/4885
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CCND2, ROCK2, CCND1 CA12 1249/4885CA1 953/4885CA2 972/4885

“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.