SCHEMBL5997443

SCHEMBL5997443

Clc1cccc(OC[C@H]2CO2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
TP53 P04637 3/20 0.77
TSHR P16473 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
HIF1A Q16665 2/20 0.77
CYP3A4 P08684 1/20 0.77
TDP1 Q9NUW8 1/20 0.62
TAAR1 Q96RJ0 1/20 0.57
GRM2 Q14416 1/20 0.54
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
WDR5 P61964 1/20 0.46
PPARG P37231 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5513197 1.00 ALDH1A1 (0.77) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL6487223 1.00 ALDH1A1 (0.77) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL31537008 0.87 ALDH1A1 (1.00) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL13806572 0.87 ALDH1A1 (1.00) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL37802 0.87 ALDH1A1 (1.00) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL31537002 0.87 ALDH1A1 (1.00) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL12289601 0.87 ALDH1A1 (1.00) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL11743972 0.83 ALDH1A1 (0.57) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL11744426 0.83 ALDH1A1 (0.66) ALDH1A1TP53TSHRSMN1; SMN2HIF1A
SCHEMBL19813823 0.82 ALDH1A1 (0.89) ALDH1A1TP53TSHRSMN1; SMN2HIF1A

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-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed
US-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2022-09-08 US disclosed
WO-2022057734-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR 凯特立斯(深圳)科技有限公司 2022-03-24 WO disclosed
US-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 WO disclosed
US-5688823-A ANTILIPEMIC AGENTS, ANTIGLYCEMIC AGENTS, OBESITY, GLUCOSE TOLERANCE INSUFFICIENCY, INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1997-11-18 US disclosed
US-5578620-A TREATMENT OF DIABETES AND HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1996-11-26 US disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 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 (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-20220281797-A1 KEY INTERMEDIATE FOR SYNTHESIS OF PROSTAGLANDIN COMPOUND AND PREPARATION METHOD THEREOF PTGES, PTGIS, PTGES2 ALDH1A1 915/4885TP53 2651/4885TSHR 4078/4885
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD ALDH1A1 109/4885TP53 4003/4885TSHR 2910/4885

“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.