SCHEMBL6491689

SCHEMBL6491689

CC(C)(CCBr)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SSTR4 P31391 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7526068 0.78 CYP1A2 (0.41) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL10387752 0.78 CYP1A2 (0.41) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL11094087 0.77 CHRM2 (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL25418137 0.76 MEN1 (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL1930395 0.76 CYP1A2 (0.44) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL2777672 0.76 MEN1 (0.40) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL18729659 0.76
SCHEMBL20350217 0.75 CYP1A2 (0.37) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL2994447 0.74 MEN1 (0.40) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL11697439 0.73 CYP1A2 (0.52) MEN1ALDH1A1LMNAALOX12KMT2A

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-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
CN-1620291-A 3-(imidazolyl)-2-alkoxypropanoic acids as TAFIA inhibitors PFIZER (US) 2005-05-25 CN disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 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 (2 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-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 MEN1 1716/4885ALDH1A1 191/4885LMNA 1149/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 MEN1 1756/4885ALDH1A1 217/4885LMNA 1239/4885

“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.