SCHEMBL19796745

SCHEMBL19796745

C=CC(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.36
CYP2C9 P11712 1/20 0.35
DGAT1 O75907 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
SOAT1 P35610 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
MCHR1 Q99705 1/20 0.33
SLC6A9 P48067 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 4/20 0.32

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
SCHEMBL19796746 0.96 PTPN11 (0.36) PTPN11CYP2C9DGAT1PTPN1PTPN6
SCHEMBL19797045 0.93 PTPN11 (0.34) PTPN11CYP2C9DGAT1PTPN1PTPN6
SCHEMBL19796743 0.93 PTPN11 (0.36) PTPN11CYP2C9DGAT1PTPN1PTPN6
SCHEMBL19796764 0.91 CYP2C9 (0.32) PTPN11CYP2C9DGAT1PTPN1PTPN6
SCHEMBL19796858 0.90 CYP2C9 (0.35) CYP2C9DGAT1SOAT1HPGDTSHR
SCHEMBL19796727 0.89 CYP2C9 (0.36) CYP2C9DGAT1SOAT1HPGDTSHR
SCHEMBL19797044 0.89 PPARD (0.37) PTPN11CYP2C9CNR2CNR1PPARG
SCHEMBL19007877 0.89 TSHR (0.34) PTPN11CYP2C9DGAT1PTPN1PTPN6
SCHEMBL19796740 0.89 CYP2C9 (0.35) CYP2C9DGAT1SOAT1HPGDTSHR
SCHEMBL19797041 0.88 RARA (0.35) PTPN11CYP2C9DGAT1PTPN1PTPN6

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 PTPN11 2304/4885CYP2C9 4202/4885DGAT1 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.