SCHEMBL5210786

SCHEMBL5210786

CCCc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.63
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 1/20 0.61
USP28 Q96RU2 1/20 0.58
USP25 Q9UHP3 1/20 0.58
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
PTGER1 P34995 2/20 0.54
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL10367869 0.91 CCR5 (0.60) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL17197395 0.88 CCR5 (0.62) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL8406943 0.88 HTR1A (0.65) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL3724781 0.88 CCR5 (0.66) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL27402118 0.86 CCR5 (0.60) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL16294248 0.85 USP28 (0.69) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL16293879 0.85 CCR5 (0.59) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL6260325 0.85 CCR5 (0.59) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL27403102 0.84 CCR5 (0.76) CCR5ALDH1A1RAB9AUSP28USP25
SCHEMBL7585417 0.84 CCR5 (0.58) CCR5ALDH1A1RAB9AUSP28USP25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312906-B2 Polymerizable monomer, liquid crystal composition using polymerizable monomer, and liquid crystal display device DIC CORPORATION (JP) 2022-04-26 US disclosed
US-11312906-B2 Polymerizable monomer, liquid crystal composition using polymerizable monomer, and liquid crystal display device DIC CORPORATION (JP) 2022-04-26 US disclosed
US-20200224098-A1 POLYMERIZABLE MONOMER, LIQUID CRYSTAL COMPOSITION USING POLYMERIZABLE MONOMER, AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2020-07-16 US disclosed
US-20200224098-A1 POLYMERIZABLE MONOMER, LIQUID CRYSTAL COMPOSITION USING POLYMERIZABLE MONOMER, AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2020-07-16 US disclosed
CN-110651022-A Polymerizable monomer, liquid crystal composition using same, and liquid crystal display element DIC株式会社 2020-01-03 CN disclosed
EP-1194147-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-10 EP disclosed
US-6465497-B2 SUBSTITUTED 5-ARYL-2,4-THIAZOLIDINEDIONES AND OXAZOLIDINEDIONES; AGONISTS OF PPAR (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR); USEFUL TREATING DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, AND OBESITY MERCK & CO., INC. 2002-10-15 US disclosed
EP-1194147-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-10-09 EP disclosed
US-6380191-B1 FOR TREATMENT, CONTROL OR PREVENTION OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA (INCLUDING HYPERCHOLESTEROLEMIA AND HYPERTRIGLYCERIDEMIA), ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO. INC. 2002-04-30 US disclosed
EP-1194147-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity MERCK & CO., INC. 2002-03-28 US disclosed
WO-2000078313-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 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-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity PPARD, PPARA, PPARG CCR5 726/4885ALDH1A1 679/4885RAB9A 4194/4885

“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.