SCHEMBL256374

SCHEMBL256374

CCC(C)Oc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
SLC6A4 P31645 1/20 0.40
MAPT P10636 1/20 0.39
APP P05067 8/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL122883 0.89 ACACB (0.45) ACACBMAPTMTNR1AMTNR1BLTA4H
SCHEMBL12521736 0.82 ALDH1A3 (0.48) ACACBMAPTCYP1A2CYP2D6
SCHEMBL18260758 0.81 SLC6A4 (0.39) SLC6A4APPMTNR1AMTNR1BCYP1A2
SCHEMBL15300858 0.81 SLC6A4 (0.39) SLC6A4APPMTNR1AMTNR1BLTA4H
SCHEMBL9888683 0.80 MTNR1A (0.53) SLC6A4MTNR1AMTNR1B
SCHEMBL18754954 0.80 MTNR1A (0.53) SLC6A4MTNR1AMTNR1B
SCHEMBL13064360 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B
SCHEMBL25513374 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B
SCHEMBL8263616 0.80 ACHE (0.42) ACACBMAPTMTNR1AMTNR1B
SCHEMBL255656 0.80 SLC6A4 (0.41) ACACBSLC6A4APP

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
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885SLC6A4 3188/4885MAPT 1497/4885

“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.