SCHEMBL20313624

SCHEMBL20313624

C=C(CO)C(=O)Oc1cc(OC(=O)C(=O)CO)cc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 4/20 0.32
SOAT1 P35610 1/20 0.32
P2RY14 Q15391 2/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 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
SCHEMBL20313622 0.97 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19855542 0.96 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19854418 0.94 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19855547 0.94 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL20407681 0.91 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL20313621 0.91 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20313629 0.90 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19856172 0.90 DGAT1 (0.31) DGAT1SOAT1ESR2
SCHEMBL19722015 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTDGAT1
SCHEMBL19722278 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTDGAT1

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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 CYP2C9 3375/4885ALDH1A1 2615/4885LMNA 839/4885

“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.