SCHEMBL2777672

SCHEMBL2777672

CC(C)(CCO)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SSTR4 P31391 1/20 0.33
EPHX1 P07099 1/20 0.31
CHRM2 P08172 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2151436 0.87
SCHEMBL25418137 0.81 MEN1 (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL4681944 0.80 SMN1; SMN2 (0.42) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL18792667 0.80 MEN1 (0.34) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL11089650 0.79 CYP2D6 (0.33) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL10387752 0.78 CYP1A2 (0.41) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL7526068 0.78 CYP1A2 (0.41) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL345668 0.77 SMN1; SMN2 (0.39) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL6491689 0.76 MEN1 (0.36) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL1930395 0.76 CYP1A2 (0.44) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157968-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE APPLETON PAPERS INC. (US) 2010-03-03 EP claimed
WO-2008153882-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE APPLETON PAPERS INC. (US) 2008-12-18 WO claimed
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 EP 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
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed
US-5104503-A Radiation in presence of group 2b metal YALE UNIVERSITY (US) 1992-04-14 US 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.