SCHEMBL9503966

SCHEMBL9503966

COC(=O)c1cc(C(=O)OC)c2cc(C(=O)OC)cc(C(=O)OC)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA12 O43570 5/20 0.56
CA7 P43166 5/20 0.56
CA9 Q16790 5/20 0.56
CA14 Q9ULX7 5/20 0.56
KDM4E B2RXH2 5/20 0.54
GAA P10253 2/20 0.54
XDH P47989 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
GFER P55789 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
FUT7 Q11130 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL11782629 0.92 KDM4E (0.48) CA1CA2CA12CA7CA9
SCHEMBL11785375 0.84 KDM4E (0.41) CA1CA2CA12CA7CA9
SCHEMBL5161494 0.82 KDM4E (0.65) CA1CA2CA12CA7CA9
SCHEMBL10945485 0.82 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL29086835 0.81 LCK (0.57) CA1CA2CA12CA7CA9
SCHEMBL6512713 0.80 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL22828496 0.80 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL95955 0.80 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL147169 0.80 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL15936293 0.79 ALDH1A1 (0.58) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954840-A THERMAL STABILITY TEIJIN LTD. (JA) 1976-05-04 US claimed
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
EP-0263705-B1 THE USE OF THERMOPLASTIC POLYESTER RESIN COMPOSITION FOR UV-SCREENING MITSUBISHI KASEI CORPORATION (JP) 1993-06-30 EP disclosed
US-4814366-A ULTRAVIOLET SCREENING AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-03-21 US disclosed
EP-0263705-A2 The use of thermoplastic polyester resin composition for UV-screening MITSUBISHI KASEI CORPORATION (JP) 1988-04-13 EP disclosed
US-3954840-A THERMAL STABILITY TEIJIN LTD. (JA) 1976-05-04 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 (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 CA1 725/4885CA2 2140/4885CA12 3265/4885
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CCND2, ROCK2, CCND1 CA1 953/4885CA2 972/4885CA12 1249/4885

“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.