SCHEMBL19804339

SCHEMBL19804339

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3F)cc2)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
SLC6A9 P48067 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
KMT2A Q03164 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
BDKRB1 P46663 2/20 0.35
DHODH Q02127 4/20 0.34

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
SCHEMBL19804325 0.91 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1NPSR1SLC6A9
SCHEMBL19804029 0.90 PTGS1 (0.39) MAPTMEN1CYP3A4TSHRKMT2A
SCHEMBL19804620 0.90 PTGS1 (0.39) MAPTMEN1CYP3A4TSHRKMT2A
SCHEMBL19804330 0.89 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1NPSR1SLC6A9
SCHEMBL19804248 0.88 DCLRE1A (0.38) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL19804276 0.88 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1NPSR1SLC6A9
SCHEMBL19804702 0.85 S1PR1 (0.38) MAPTALDH1A1L3MBTL1SLC6A9PPARG
SCHEMBL19804361 0.83 HSD17B1 (0.36)
SCHEMBL19804062 0.83 HSD17B1 (0.35) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL19804249 0.82 MMP2 (0.36) MAPTALDH1A1PPARGPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 MAPT 2308/4885ALDH1A1 2472/4885L3MBTL1 783/4885

“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.