SCHEMBL18308828

SCHEMBL18308828

COc1cc(-c2cccc(-c3ccc(C)cc3)c2)ccc1OC(=O)COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CTSA P10619 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ PDE4A P27815 4/20 0.41
▸ PDE4B Q07343 4/20 0.41
▸ PDE4C Q08493 4/20 0.41
▸ PDE4D Q08499 4/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18411597 0.89 FFAR1 (0.50) PPARGFFAR1SMN1; SMN2
SCHEMBL18621849 0.85 FFAR1 (0.50) PPARGPPARAFFAR1LMNAMAPT
SCHEMBL18625350 0.74 PTGER4 (0.56) MRGPRX4PPARGFFAR1
SCHEMBL7019277 0.74 GAA (0.53) PPARGPPARAALDH1A1LMNAMAPT
SCHEMBL18308829 0.73 ABL1 (0.49) CYP3A4MAPTKMT2A
SCHEMBL18311384 0.73 PLA2G4B (0.45) PPARGPPARAFFAR1SMN1; SMN2KDM4E
SCHEMBL12303132 0.71 KDM4E (0.60) SMPD1CYP3A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL22311820 0.70 MEN1 (0.47) FFAR1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL10328209 0.70 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL18621853 0.70 ESR1 (0.49) MRGPRX4FFAR1CYP3A4KDM4EALDH1A1

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-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — 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-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 RECQL 3082/4885MRGPRX4 4177/4885CTSA 4173/4885

“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.

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