SCHEMBL17754338

SCHEMBL17754338

Oc1ccc(-c2ccc(-c3ccc(OC4CCCCO4)cc3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.41
KIF11 P52732 1/20 0.40
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2D6 P10635 2/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP3A4 P08684 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TNK2 Q07912 3/20 0.36
HSD11B1 P28845 1/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PTPN1 P18031 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
SCHEMBL17754317 0.93 ESR1 (0.44) APPCYP2C9CYP3A4ESR1ESR2
SCHEMBL17625786 0.88 ESR1 (0.37) APPCYP2C9ESR1ESR2TNK2
SCHEMBL217929 0.86 TNK2 (0.43) ESR1ESR2TNK2HSD11B1PTPN1
SCHEMBL17754323 0.85 HSD17B1 (0.40) KIF11CYP3A4ESR1ESR2TNK2
SCHEMBL22459334 0.82 PTPN1 (0.41) KIF11ESR1HSD11B1PTPN1ALDH2
SCHEMBL17754341 0.82 APP (0.42) APPCYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL222919 0.82 MEN1 (0.43) ESR1ESR2TNK2HSD11B1PTPN1
SCHEMBL15093959 0.82 MEN1 (0.43) ESR1ESR2TNK2HSD11B1PTPN1
SCHEMBL15093765 0.82 MEN1 (0.43) ESR1ESR2TNK2HSD11B1PTPN1
SCHEMBL17754258 0.81 ESR1 (0.44) ESR1ESR2TNK2HSD11B1PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 APP 612/4885KIF11 167/4885CYP2C9 2955/4885

“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.