SCHEMBL4457425

SCHEMBL4457425

CCCOc1ccc(C#Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACACB O00763 11/20 0.50
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
CYP2A6 P11509 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL541949 0.91 ALDH1A1 (0.68) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL14134159 0.91 ALDH1A1 (0.68) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL28329212 0.90 LMNA (0.59) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL29103290 0.89 ALDH1A1 (0.58) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL28336762 0.89 ALDH1A1 (0.58) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Benzene SCHEMBL28241675 0.87 ALDH1A1 (0.64) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3074037 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3434851 0.85 ACACB (0.57) MEN1KMT2AACACBCA12CA1
SCHEMBL16706066 0.85 ACACB (0.57) MEN1KMT2AACACBCA12CA1
SCHEMBL510500 0.83 ALDH1A1 (0.73) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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 18/4885MAPT 4533/4885

“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.