SCHEMBL4508541

SCHEMBL4508541

CC(C)[Si](Oc1ccc(CCCBr)cc1)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
ALOX5 P09917 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AOC3 Q16853 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6478757 0.89 TDP1 (0.39) CALM1HRH3HTTSMN1; SMN2AOC3
SCHEMBL3085551 0.83 TRPA1 (0.36) ALDH1A1POLB
SCHEMBL4515768 0.83 PPARA (0.46) CALM1ALOX5SIGMAR1IGF1RALOX15
SCHEMBL6179468 0.79 CYP4F2 (0.45) CALM1HRH3ALOX5ALDH1A1
SCHEMBL4521924 0.76 PREP (0.42) CALM1SIRT2IGF1RALOX15TAAR1
SCHEMBL27857506 0.75 MEN1 (0.40) CALM1SIGMAR1KMT2A
SCHEMBL10438271 0.75 HTT (0.34) HRH3HTTSMN1; SMN2AOC3ALDH1A1
SCHEMBL22398087 0.74 SLC6A4 (0.33) HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL3105485 0.74 LTA4H (0.44) HRH3POLB
SCHEMBL80083 0.74 CALM1 (0.62) CALM1ALOX5SIGMAR1SIRT2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A CALM1 3405/4885HRH3 1425/4885ALOX5 94/4885

“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.