SCHEMBL18806022

SCHEMBL18806022

C=C(C)C(=O)Oc1ccc(-c2ccc(C(OC(=O)C(=C)C)C(C)(C)O)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ AKR1C3 P42330 6/20 0.39
▸ AKR1C2 P52895 6/20 0.39
▸ PTGS1 P23219 4/20 0.36
▸ PGR P06401 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PTGS2 P35354 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35

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
SCHEMBL18806042 0.94 APP (0.40) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL18806043 0.94 APP (0.44) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL25570181 0.89 APP (0.40) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL18806023 0.86 AKR1C3 (0.39) APPCYP2C19AKR1C3AKR1C2CYP2C9
SCHEMBL27255367 0.86 APP (0.40) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL18806020 0.85 ELANE (0.43) PTGS2KMT2ALMNAHIF1AELANE
SCHEMBL18806031 0.84 ACACB (0.37) AKR1C3AKR1C2KMT2ALMNAELANE
SCHEMBL18806032 0.82 ELANE (0.34) PTGS2KMT2ALMNAELANE
SCHEMBL9607902 0.82 ELANE (0.48) APPCYP2C19AKR1C3AKR1C2PTGS1
SCHEMBL18806025 0.81 FFAR1 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208801-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-02 — — WO disclosed
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 — — US disclosed
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 — — US disclosed
EP-4194529-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-06-14 — — EP disclosed
US-11312909-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2022-04-26 — — US disclosed
EP-3162875-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2018-05-23 — — EP disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — US disclosed
EP-3162875-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-05-03 — — EP 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 (2 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-11312909-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, LCP1, MAP1LC3C APP 1645/4885CYP2C19 3696/4885AKR1C3 4186/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C APP 1494/4885CYP2C19 3732/4885AKR1C3 3918/4885

“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