SCHEMBL19796948

SCHEMBL19796948

C=C(C)C(=O)OCCOc1cc(CCCCC)ccc1-c1ccc(-c2ccc(OCCO)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
RARB P10826 4/20 0.45
RARA P10276 2/20 0.42
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN11 Q06124 2/20 0.38

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
SCHEMBL19796884 0.96 RARB (0.45) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796940 0.93 RARB (0.48) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796941 0.92 RARB (0.47) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796787 0.90 RARB (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796643 0.89 RARB (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796876 0.88 MEN1 (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796953 0.87 RARB (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796807 0.86 RARB (0.45) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796644 0.86 RARB (0.48) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19796798 0.86 RARB (0.45) MEN1USP2ALDH1A1LMNACYP3A4

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 MEN1 1151/4885USP2 4097/4885ALDH1A1 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.