SCHEMBL16379489

SCHEMBL16379489

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
PRSS1 P07477 2/20 0.46
ACR P10323 2/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL17341715 1.00 THRB (0.49) THRBKMT2AMAPTPRSS1ACR
SCHEMBL12304811 0.97 NPC1 (0.49) THRBKMT2AMAPTPRSS1ACR
SCHEMBL16379486 0.97 NPC1 (0.49) THRBKMT2AMAPTPRSS1ACR
SCHEMBL14484284 0.97 NPC1 (0.49) THRBKMT2AMAPTPRSS1ACR
SCHEMBL18477596 0.96 THRB (0.46) THRBKMT2AMAPTPRSS1ACR
SCHEMBL12891603 0.96 NPC1 (0.50) THRBKMT2AMAPTPRSS1ACR
SCHEMBL12768563 0.96 NPC1 (0.50) THRBKMT2AMAPTPRSS1ACR
SCHEMBL12769308 0.96 NPC1 (0.50) THRBKMT2AMAPTPRSS1ACR
SCHEMBL13149849 0.96 NPC1 (0.50) THRBKMT2AMAPTPRSS1ACR
SCHEMBL13109513 0.96 NPC1 (0.50) THRBKMT2AMAPTPRSS1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464228-B2 Liquid crystal composition, method for manufacturing the same, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-9464228-B2 Liquid crystal composition, method for manufacturing the same, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
US-20150191651-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20150191652-A1 LIQUID CRYSTAL COMPOSITION, METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20150191652-A1 LIQUID CRYSTAL COMPOSITION, METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20150191651-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20150002789-A1 OPTICALLY-COMPENSATORY FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF PRODUCING OPTICALLY-COMPENSATORY FILM FUJIFILM CORPORATION (JP) 2015-01-01 US disclosed
US-20150002789-A1 OPTICALLY-COMPENSATORY FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF PRODUCING OPTICALLY-COMPENSATORY FILM FUJIFILM CORPORATION (JP) 2015-01-01 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-20150191651-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM PYM1, C9, LANCL2 THRB 4118/4885KMT2A 475/4885MAPT 779/4885

“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.