SCHEMBL19797121

SCHEMBL19797121

C=C(C)C(=O)OCCc1cc(C2CCC(CCCCC)CC2)ccc1-c1ccc(-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PPARA Q07869 1/20 0.34
RARB P10826 3/20 0.34
PTPN11 Q06124 1/20 0.34
P2RY14 Q15391 1/20 0.34
TSHR P16473 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL19796879 0.99 RAB9A (0.39) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19797082 0.97 RAB9A (0.37) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19797114 0.96 RAB9A (0.39) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19796812 0.94 RAB9A (0.39) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19796882 0.94 RAB9A (0.34) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19797145 0.92 RAB9A (0.34) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL17070423 0.90 PPARD (0.33) FFAR4PPARGPPARAPTPN11TSHR
SCHEMBL19796870 0.90 FFAR4 (0.36) FFAR4RARBTSHRDGAT1SOAT1
SCHEMBL19797093 0.90 RAB9A (0.33) RAB9AFFAR4POLBAPEX1HTT
SCHEMBL19797088 0.89 RARB (0.38) RAB9AFFAR4POLBAPEX1HTT

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 RAB9A 4200/4885FFAR4 1715/4885POLB 3105/4885

“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.