SCHEMBL4454213

SCHEMBL4454213

CCCCCCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.64
THRB P10828 11/20 0.64
HAO1 Q9UJM8 1/20 0.58
ALDH1A1 P00352 2/20 0.57
RARB P10826 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL13959593 0.94 ALDH1A1 (0.57) THRATHRBHAO1ALDH1A1RARB
SCHEMBL10583784 0.86 THRA (0.65) THRATHRBHAO1ALDH1A1RARB
SCHEMBL12563620 0.85 ALDH1A1 (0.67) THRATHRBHAO1ALDH1A1RARB
SCHEMBL11346510 0.84 ESR1 (0.66) THRATHRBHAO1ALDH1A1RARB
SCHEMBL2349788 0.84 ALDH1A1 (0.65) THRATHRBHAO1ALDH1A1RARB
SCHEMBL6282350 0.84 THRA (0.61) THRATHRBHAO1ALDH1A1RARB
SCHEMBL17857869 0.83 ESR1 (0.61) THRATHRBALDH1A1
SCHEMBL29087838 0.83 ALDH1A1 (0.67) THRATHRBHAO1ALDH1A1RARB
SCHEMBL4191545 0.82 ESR1 (0.63) ALDH1A1
SCHEMBL340275 0.82 ESR1 (0.63) ALDH1A1

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 7 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 disclosed
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
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 THRA 3478/4885THRB 2718/4885HAO1 1385/4885

“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.