SCHEMBL18487314

SCHEMBL18487314

C=C(C)C(=O)OCCOc1cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)ccc1OCCOC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.35
▸ AAK1 Q2M2I8 5/20 0.34
▸ POLB P06746 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CASP3 P42574 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
SCHEMBL24170586 1.00 THRB (0.35) THRBAAK1POLBAPEX1HTT
SCHEMBL22072464 0.96 AAK1 (0.33) THRBAAK1POLBDGAT1S1PR1
SCHEMBL18476361 0.95 ELANE (0.36) THRBAAK1POLBAPEX1HTT
SCHEMBL22592280 0.93 ELANE (0.36) THRBAAK1POLBAPEX1HTT
SCHEMBL15180382 0.92 THRB (0.40) THRBAAK1POLBAPEX1HTT
SCHEMBL16559841 0.91 THRB (0.39) THRBAAK1POLBAPEX1HTT
SCHEMBL25933524 0.91 L3MBTL1 (0.34) THRBAAK1POLBAPEX1HTT
SCHEMBL26000349 0.91 THRB (0.35) THRBAAK1POLBAPEX1HTT
SCHEMBL21400842 0.90 THRB (0.40) THRBAAK1POLBAPEX1HTT
SCHEMBL16559823 0.90 THRB (0.40) THRBAAK1POLBAPEX1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 — — US disclosed
US-20190241809-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2019-08-08 — — US disclosed
US-9809748-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 — — 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-20190241809-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA NEFM, MDN1, VCL THRB 4061/4885AAK1 2133/4885POLB 4082/4885

“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.

Send feedback