SCHEMBL19797007

SCHEMBL19797007

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2C)ccc1CCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 2/20 0.31
RARB P10826 2/20 0.31
PPARD Q03181 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
P2RY14 Q15391 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30
RARA P10276 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL19796584 0.95 MMP2 (0.34) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19796989 0.94 DGAT1 (0.33) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19796586 0.94 TSHR (0.35) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19797008 0.92 CYP2C9 (0.34) CA1CA2CYP2C9TSHRRARB
SCHEMBL19796980 0.92 TSHR (0.33) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19796543 0.91 MMP2 (0.34) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19796600 0.90 TSHR (0.37) CA1CA2DGAT1SOAT1CYP2C9
SCHEMBL19797018 0.90 CNR2 (0.35) CA1CA2TSHRRARBPPARD
SCHEMBL19797000 0.90 MMP2 (0.33) CA1CA2TSHRRARBPPARD
SCHEMBL19797022 0.90 CA1 (0.30) CA1CA2

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 2120/4885DGAT1 2685/4885

“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.