SCHEMBL522265

SCHEMBL522265

CCOC(=O)c1c(F)c(F)c(C(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
ESR1 P03372 1/20 0.49
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
MITF O75030 1/20 0.45

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
SCHEMBL522227 0.91 ESR1 (0.55) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL9618504 0.90 SMN1; SMN2 (0.47) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL196046 0.89 ESR1 (0.53) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL522219 0.87 ESR1 (0.52) ALDH1A1ESR1USP2SMN1; SMN2HPGD
Alcohol SCHEMBL28160506 0.85 SMN1; SMN2 (0.50) ALDH1A1ESR1SMN1; SMN2HPGDGAA
SCHEMBL6578769 0.85 SMN1; SMN2 (0.53) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL2454093 0.83 ESR1 (0.68) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL2458847 0.83 ESR1 (0.49) ALDH1A1ESR1USP2SMN1; SMN2HPGD
SCHEMBL25380338 0.82 ALDH1A1 (0.55) ALDH1A1USP2SMN1; SMN2HPGDGAA
SCHEMBL25379723 0.82 ALDH1A1 (0.55) ALDH1A1USP2SMN1; SMN2HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751807-B Preparation process of 2,3,5, 6-tetrafluorobenzyl alcohol 忠同科技(大连)有限公司 2023-08-22 CN disclosed
CN-109704916-B Synthesis process of substituted aromatic alcohol 江苏扬农化工股份有限公司 2022-05-24 CN disclosed
CN-110117217-B Preparation method of 1-bromomethyl-2, 3,5, 6-tetrafluoro-4- (trifluoromethyl) benzene 浙江普洛家园药业有限公司 2021-09-28 CN disclosed
US-8563761-B2 Boron or aluminum complexes CENTRE NATIONAL DE LA RECHERCHE (FR) 2013-10-22 US disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-20110171112-A1 BORON OR ALUMINUM COMPLEXES UNIVERSITE DE PICARDIE JULES VERNE (FR) 2011-07-14 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 (3 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 18/4885ESR1 2946/4885USP2 4637/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ALDH1A1 33/4885ESR1 1456/4885USP2 3817/4885
US-20110171112-A1 BORON OR ALUMINUM COMPLEXES AFF4, AFF2, AFF1 ALDH1A1 4333/4885ESR1 424/4885USP2 2877/4885

“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.