SCHEMBL19796764

SCHEMBL19796764

C=CC(=O)OCCc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)ccc1OCC(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
PTPN11 Q06124 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
DGAT1 O75907 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
ESR1 P03372 1/20 0.30
CSF1R P07333 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
SCHEMBL19796745 0.91 PTPN11 (0.36) CYP2C9PTPN11ALDH1A1LMNAMAPT
SCHEMBL19796694 0.90 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTTSHR
SCHEMBL19796746 0.87 PTPN11 (0.36) CYP2C9PTPN11ALDH1A1LMNAMAPT
SCHEMBL19796718 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTTSHR
SCHEMBL19804552 0.85 PTGDR (0.35) CYP2C9THRBESR1CSF1R
SCHEMBL19797045 0.85 PTPN11 (0.34) CYP2C9PTPN11ALDH1A1LMNAMAPT
SCHEMBL19796743 0.84 PTPN11 (0.36) CYP2C9PTPN11ALDH1A1LMNAMAPT
SCHEMBL19796727 0.84 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTTSHR
SCHEMBL19796858 0.83 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTTSHR
SCHEMBL19796740 0.83 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTTSHR

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 CYP2C9 4202/4885PTPN11 2304/4885ALDH1A1 2472/4885

“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.