SCHEMBL19796691

SCHEMBL19796691

C=C(C)C(=O)OCCc1cc(-c2ccc(F)cc2)ccc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
METTL3 Q86U44 4/20 0.37
METTL14 Q9HCE5 4/20 0.37
SYK P43405 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSTP1 P09211 1/20 0.35

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
SCHEMBL19804140 0.89 SLC6A9 (0.44) ALDH1A1MAPTRARARARBRARG
SCHEMBL19804369 0.89 SLC6A9 (0.44) ALDH1A1MAPTRARARARBRARG
SCHEMBL19804141 0.89 CA1 (0.39) ALDH1A1RARARARBRARGSYK
SCHEMBL17070418 0.86 PDE4A (0.39) RARARARBRARGPOLBAPEX1
SCHEMBL22173817 0.86 POLB (0.39) BCL9CTNNB1RARARARBRARG
SCHEMBL19624678 0.85 CA1 (0.36) ALDH1A1RARARARBRARGSYK
SCHEMBL22173821 0.85 PDE4A (0.43) MAPTRARARARBRARGPOLB
SCHEMBL19804077 0.85 SLC6A9 (0.41) ALDH1A1MAPTRARARARBRARG
SCHEMBL19804829 0.85 ESR1 (0.40) RARARARBRARGPPARGPPARD
SCHEMBL19804398 0.85 ALOX5AP (0.42) LTB4RLTB4R2RARARARBRARG

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 ALDH1A1 2472/4885MAPT 2308/4885LTB4R 2415/4885

“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.