SCHEMBL19804349

SCHEMBL19804349

C=C(C)C(=O)OCCOc1ccccc1-c1ccc(-c2ccc(CCO)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.51
ALOX5AP P20292 5/20 0.51
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL19801616 0.93 FEN1 (0.49) FEN1ALOX5APALDH1A1KDM4ESMN1; SMN2
SCHEMBL19804590 0.90 FEN1 (0.53) FEN1ALOX5APALDH1A1KDM4ESMN1; SMN2
SCHEMBL19804192 0.86 FEN1 (0.41) FEN1ALOX5APALDH1A1KDM4ECYP11B1
SCHEMBL19796940 0.85 RARB (0.48) FEN1ALOX5APALDH1A1SMN1; SMN2USP2
SCHEMBL19804421 0.85 FEN1 (0.43) FEN1ALOX5APALDH1A1
SCHEMBL19804540 0.84 FEN1 (0.47) FEN1ALOX5APALDH1A1
SCHEMBL19804168 0.84 SLC6A9 (0.40) FEN1ALOX5APALDH1A1KDM4ECYP11B1
SCHEMBL19804534 0.82 FFAR1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AFFAR4
SCHEMBL19804308 0.82 ALOX5AP (0.40) FEN1ALOX5APALDH1A1KDM4EMEN1
SCHEMBL19804410 0.82 ALOX5AP (0.43) FEN1ALOX5APALDH1A1KDM4EMEN1

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 FEN1 2669/4885ALOX5AP 2507/4885ALDH1A1 2472/4885

“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.