SCHEMBL4454575

SCHEMBL4454575

O=Cc1ccc(C#Cc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PARP10 Q53GL7 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
CYP2A6 P11509 2/20 0.46
TTR P02766 1/20 0.46
FFAR1 O14842 3/20 0.45
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
GRM5 P41594 1/20 0.44
KMT2A Q03164 2/20 0.44
ACACB O00763 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL3085617 0.96 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2PARP10
SCHEMBL97639 0.88 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2PARP10
SCHEMBL888020 0.88 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2PARP10
SCHEMBL1816905 0.84 ALDH1A1 (0.59) ALDH1A1CYP2A6FFAR1MAPTGRM5
SCHEMBL6287635 0.84 LTA4H (0.63) FFAR1LTA4HTSHRMAPTGRM5
SCHEMBL21023525 0.82 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2PARP10
SCHEMBL6727043 0.82 LTA4H (0.60) FFAR1LTA4HTSHRMAPTGRM5
SCHEMBL14380094 0.82 LTA4H (0.60) FFAR1LTA4HTSHRMAPTGRM5
SCHEMBL3839253 0.80 APP (0.63) FFAR1LTA4HTSHRMAPTGRM5
SCHEMBL1663469 0.79 PARP10 (0.65) ALDH1A1LMNAKDM4ESMN1; SMN2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US claimed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US claimed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP claimed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 WO 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK ALDH1A1 200/4885LMNA 18/4885KDM4E 2673/4885

“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.