SCHEMBL16379455

SCHEMBL16379455

C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
HDAC1 Q13547 9/20 0.49
HDAC2 Q92769 9/20 0.49
HDAC3 O15379 8/20 0.49
HDAC4 P56524 8/20 0.49
HDAC7 Q8WUI4 8/20 0.49
HDAC10 Q969S8 8/20 0.49
HDAC11 Q96DB2 8/20 0.49
HDAC8 Q9BY41 8/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC9 Q9UKV0 8/20 0.49
HDAC5 Q9UQL6 8/20 0.49
HTT P42858 3/20 0.49
RARB P10826 3/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 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

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
SCHEMBL16379492 1.00 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL12604142 1.00 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16379460 0.99 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL14130742 0.99 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16379469 0.96 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL18200239 0.96 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL17301220 0.95 HTT (0.50) THRBHTTRARBNPC1LMNA
SCHEMBL12650347 0.95 HTT (0.50) THRBHTTRARBNPC1LMNA
SCHEMBL17301205 0.95 HTT (0.50) THRBHTTRARBNPC1LMNA
SCHEMBL14088555 0.95 HTT (0.50) THRBHTTRARBNPC1LMNA

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
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-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 4118/4885HDAC1 513/4885HDAC2 1587/4885

“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.