SCHEMBL19796504

SCHEMBL19796504

C=C(C)C(=O)OCc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ESR2 Q92731 1/20 0.32
S1PR1 P21453 5/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CNR2 P34972 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
RAB9A P51151 1/20 0.30
MAPK1 P28482 1/20 0.30
CNR1 P21554 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
SCHEMBL19796539 0.93 CYP2C9 (0.34) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796593 0.92 CYP2C9 (0.34) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796508 0.91 TSHR (0.37) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796222 0.90 CYP2C9 (0.44) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796518 0.90 TSHR (0.39) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796490 0.90 CYP2C9 (0.37) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796706 0.89 FFAR4 (0.34) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL22540484 0.88 MAPK1 (0.36) CYP2C9MAPTALDH1A1LMNATSHR
SCHEMBL19796491 0.87 MMP2 (0.33) CYP2C9MAPTALDH1A1LMNA
SCHEMBL19796717 0.86 CYP2C9 (0.35) CYP2C9MAPTALDH1A1LMNATSHR

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 4202/4885MAPT 2308/4885ALDH1A1 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.