SCHEMBL19803285

SCHEMBL19803285

C=C(C)C(=O)OCCOc1cc(CCCO)ccc1-c1ccc(-c2ccccc2)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 3/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19796808 0.91 RARB (0.39) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL19804728 0.90 RARB (0.37) RARARARBRARGTP53MDM2
SCHEMBL19804627 0.87 EGFR (0.45) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
SCHEMBL19804494 0.86 RARB (0.41) RARARARBRARGLTB4RLTB4R2
SCHEMBL19803286 0.86 POLB (0.40) CYP11B1CYP11B2RARARARBRARG
SCHEMBL19796415 0.86 TSHR (0.37) CYP11B1CYP11B2CYP19A1RARBALDH1A1
SCHEMBL19796945 0.84 TSHR (0.36) RARARARBRARGSMN1; SMN2MEN1
SCHEMBL19796345 0.84 LTB4R (0.36) SMN1; SMN2MEN1KMT2ALTB4RCYP4F2
SCHEMBL19804161 0.84 SLC6A9 (0.39) CYP11B1CYP11B2CYP19A1RARARARB
SCHEMBL19804533 0.83 RARB (0.44) RARARARBRARGKDM4EKMT2A

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 CYP11B1 4354/4885CYP11B2 4666/4885CYP19A1 2455/4885

“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.