SCHEMBL19804384

SCHEMBL19804384

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccccc3)cc2)ccc1CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.35
MGLL Q99685 1/20 0.35
PTGER4 P35408 1/20 0.35
TSHR P16473 2/20 0.35
DCLRE1A Q6PJP8 1/20 0.35
DCLRE1B Q9H816 1/20 0.35
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
HDAC1 Q13547 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
GFER P55789 1/20 0.34
APOBEC3G Q9HC16 1/20 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
SCHEMBL19804054 0.95 TDP1 (0.41) CA1CA2TDP1POLBAPEX1
SCHEMBL19804046 0.93 TDP1 (0.37) CA1CA2TDP1POLBAPEX1
SCHEMBL19804446 0.93 RARA (0.37) CA1CA2TDP1POLBAPEX1
SCHEMBL19804316 0.91 CA1 (0.38) CA1CA2TDP1POLBAPEX1
SCHEMBL19804341 0.91 PTGS1 (0.36) CA1CA2TSHRRARARARB
SCHEMBL19804409 0.91 TDP1 (0.41) CA1CA2TDP1POLBAPEX1
SCHEMBL19624346 0.91 CA1 (0.41) CA1CA2TDP1POLBAPEX1
SCHEMBL19804049 0.90 PTGS1 (0.37) CA1CA2TDP1POLBAPEX1
SCHEMBL19804447 0.90 PPARA (0.35) CA1CA2TDP1POLBAPEX1
SCHEMBL19804031 0.89 THRB (0.38) CA1CA2TDP1POLBAPEX1

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 CA1 489/4885CA2 2120/4885TDP1 1951/4885

“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.