SCHEMBL18311417

SCHEMBL18311417

CCCCOc1ccc(-c2cc(OCCO)cc(OCCO)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.44
▸ ERN1 O75460 2/20 0.44
▸ GAK O14976 1/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ PTGES O14684 1/20 0.41

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
SCHEMBL18411549 0.80 TSHR (0.50) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18308837 0.80 KMO (0.41) MCHR1ERN1ALDH1A1
SCHEMBL18308832 0.80 ALOX5 (0.46) ERN1MAPTMEN1POLBGAA
SCHEMBL8975125 0.79 THRA (0.53) PLA2G4BGAKPRSS1THRATHRB
SCHEMBL19612285 0.78 MAPT (0.53) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL17547071 0.78 CYP2D6 (0.50) ALDH1A1
SCHEMBL27509557 0.78 PDE4A (0.50) MCHR1GAKPDE4APDE4DALDH1A1
SCHEMBL18311338 0.75 GAA (0.48) ERN1ALDH1A1MAPTMEN1GAA
SCHEMBL4374860 0.75 CA2 (0.57) MCHR1ALDH1A1MAPTMEN1POLB
SCHEMBL13303486 0.75 KDM4E (0.46) ALDH1A1MAPTMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121247-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-01-25 — — EP disclosed
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 MCHR1 3172/4885PLA2G4B 3327/4885ERN1 1131/4885

“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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