SCHEMBL8728993

SCHEMBL8728993

COC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
AOC3 Q16853 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ACP3 P15309 1/20 0.42

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
SCHEMBL9504016 0.85 ALDH1A1 (0.48) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL12742303 0.85 KMT2A (0.45) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL9711274 0.85 AOC3 (0.44) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL13557307 0.84 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL18832093 0.84 ALDH1A1 (0.41) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL11556826 0.83 FABP4 (0.49) ALDH1A1FABP4FABP5HPGDHTT
SCHEMBL1641813 0.83 HPGD (0.46) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL9711275 0.83 AOC3 (0.45) ALDH1A1AOC3CYP2C9CYP2C19HPGD
SCHEMBL6929002 0.82 NCEH1 (0.43) ALDH1A1FABP4FABP5HPGDCYP1A2
SCHEMBL27771442 0.82 HPGD (0.44) ALDH1A1CYP2C9CYP2C19HPGDHTT

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-108535476-A Ternary system Immune competition method detects the quantum dot immune chromatography detection card and detection method of naproxen 韶关学院 2018-09-14 CN disclosed
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols PURDUE RESEARCH FOUNDATION (US) 2018-06-19 US disclosed
EP-3094613-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS Purdue Research Foundation, Inc. (US) 2016-11-23 EP disclosed
US-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2016-11-17 US disclosed
WO-2015106045-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2015-07-16 WO disclosed
US-7910750-B2 Aryl ethers of dihydroartemisnin such as 4-methoxycarbonylmethyl phenyl-dihydroartemisinine ether; immunosuppressants; dosage forms including tablets, ointments and suppositories; side effect reduction over cyclosporin A SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-22 US disclosed
US-20080139642-A1 Artemisinin (Qinghaosu) Derivatives, Their Preparation Methods And Their Use, And Pharmaceutical Compositions Containing The Same SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-06-12 US disclosed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP disclosed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 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 (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-20080139642-A1 Artemisinin (Qinghaosu) Derivatives, Their Preparation Methods And Their Use, And Pharmaceutical Compositions Containing The Same THPO, CYP3A5, CYP3A43 ALDH1A1 951/4885AOC3 4308/4885FABP4 3310/4885
US-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS CYP51A1, ALKBH3, ALKBH1 ALDH1A1 500/4885AOC3 566/4885FABP4 2034/4885
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols CYP51A1, ALKBH3, ALKBH1 ALDH1A1 500/4885AOC3 566/4885FABP4 2034/4885

“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.