SCHEMBL16875729

SCHEMBL16875729

C=CCONC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL5318792 0.88 NPC1 (0.59) ALDH1A1NPC1RAB9ALMNAHPGD
SCHEMBL11113240 0.85 HDAC1 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11697933 0.82 PKM (0.63) ALDH1A1L3MBTL1NPC1RAB9ALMNA
SCHEMBL9402706 0.81 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8382795 0.73 GAA (0.53) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12374695 0.73 RAB9A (0.42) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL1489146 0.73 ALDH1A1 (0.67) ALDH1A1L3MBTL1NPC1RAB9ATP53
SCHEMBL175787 0.73 SNCA (0.59) ALDH1A1L3MBTL1CSNK2A2CSNK2A1TP53
Bicarbonate SCHEMBL6554150 0.71 SNCA (0.58) ALDH1A1L3MBTL1CSNK2A2CSNK2A1TP53
Paraben SCHEMBL16636120 0.71 CA2 (0.59) ALDH1A1L3MBTL1CSNK2A2CSNK2A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105247012-B Polymerizable liquid crystal compound, liquid crystal composition, polymer material and production method for same, film, polarizing plate, and liquid crystal display device 富士胶片株式会社 2017-04-26 CN disclosed
CN-104684944-B Polymerizable liquid crystal compound, liquid-crystal composition, macromolecular material and its manufacture method, film, Polarizer and liquid crystal indicator 富士胶片株式会社 2017-03-08 CN 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
CN-104684944-A Polymerizable liquid crystal compound, liquid crystal composition, polymer material, method for producing polymer material, and film FUJIFILM CORP 2015-06-03 CN 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 ALDH1A1 1441/4885L3MBTL1 9/4885NPC1 626/4885

“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.