SCHEMBL2415919

SCHEMBL2415919

CCCc1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLCO1B3 Q9NPD5 1/20 0.45
▸ SLCO1B1 Q9Y6L6 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ THRB P10828 1/20 0.43

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
SCHEMBL3137971 0.89 LMNA (0.54) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL5323481 0.89 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL8626386 0.87 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1USP2
SCHEMBL5156655 0.85 LMNA (0.65) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL1696516 0.85 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL25168555 0.84 LMNA (0.59) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL9621406 0.84 LMNA (0.53) ALDH1A1LMNAL3MBTL1HRH3KMT2A
Ammonia Solution, Strong SCHEMBL9083580 0.83 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1HRH3KMT2A
SCHEMBL2412878 0.83 LMNA (0.55) ALDH1A1LMNAL3MBTL1HRH3SMN1; SMN2
SCHEMBL9681731 0.83 HRH3 (0.43) ALDH1A1LMNAL3MBTL1HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 — — US disclosed
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 — — EP disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 — — US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 — — EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG ALDH1A1 175/4885LMNA 3376/4885L3MBTL1 4700/4885

“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.

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