SCHEMBL1748240

SCHEMBL1748240

CC([C@@]1(C(=O)c2ccc(Br)cc2)CCCC[C@@H]1C(=O)O)[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 1/20 0.34
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
OPRD1 P41143 2/20 0.33
ADCY8 P40145 1/20 0.33
ADCY1 Q08828 1/20 0.33
OPRM1 P35372 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL1748241 0.73 POLB (0.39) POLBALDH1A1RAB9AATMOPRD1
SCHEMBL1748012 0.72 HDAC6 (0.45) ALDH1A1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL3318214 0.66 SMN1; SMN2 (0.40) POLBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL13417051 0.65 LMNA (0.34) POLBRAB9AATMOPRD1OPRM1
SCHEMBL27498299 0.64 SLC1A2 (0.35) POLBHSD11B1LMNA
SCHEMBL3317022 0.64 RAB9A (0.41) POLBALDH1A1HSD11B1RAB9ALMNA
SCHEMBL3317680 0.63 NPC1 (0.46) ALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL3315274 0.62 MAPK1 (0.45) ALDH1A1RAB9AATMMAPTMAPK1
SCHEMBL475655 0.61 GRM2 (0.34) LMNA
SCHEMBL5647514 0.61 SLC1A2 (0.33) LMNA

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
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (5 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC POLB 3459/4885ALDH1A1 199/4885HSD11B1 97/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC POLB 3459/4885ALDH1A1 199/4885HSD11B1 97/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC POLB 3459/4885ALDH1A1 199/4885HSD11B1 97/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC POLB 3459/4885ALDH1A1 199/4885HSD11B1 97/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC POLB 3459/4885ALDH1A1 199/4885HSD11B1 97/4885

“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.