SCHEMBL67483

SCHEMBL67483

CC1O[C@@H]2O[C@@]3(C)CCC4[C@H](C)CCC([C@H]1C)[C@]42OO3

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 9/20 0.76
ALDH1A1 P00352 4/20 0.76
LMNA P02545 3/20 0.76
HTT P42858 3/20 0.76
CYP3A4 P08684 2/20 0.76
TP53 P04637 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
HIF1A Q16665 1/20 0.59
NR1I2 O75469 1/20 0.59
CYP2B6 P20813 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL19342809 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL14458620 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL30318005 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL13390418 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL15243262 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL14013807 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL13934375 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL14013803 1.00 PTGES2 (0.76) PTGES2ALDH1A1LMNAHTTCYP3A4
SCHEMBL13390262 0.87 PTGES2 (0.58) PTGES2ALDH1A1LMNAHTTCYP3A4
Artenimol SCHEMBL23843510 0.86 PTGES2 (1.00) PTGES2ALDH1A1LMNAHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129426-B2 Water-soluble artemisinin derivatives, their preparation methods, the pharmaceutical compositions and the use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-03-06 US disclosed
US-8129426-B2 Water-soluble artemisinin derivatives, their preparation methods, the pharmaceutical compositions and the use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-03-06 US 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-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-20090298881-A1 Water-Soluble Artemisinin Derivatives, Their Preparation Methods, the Pharmaceutical Compositions and the Use Thereof JIANGSU ZUOYOU MEDICINE CO., LTD. (CN) 2009-12-03 US disclosed
US-20090298881-A1 Water-Soluble Artemisinin Derivatives, Their Preparation Methods, the Pharmaceutical Compositions and the Use Thereof JIANGSU ZUOYOU MEDICINE CO., LTD. (CN) 2009-12-03 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
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

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-20080139642-A1 Artemisinin (Qinghaosu) Derivatives, Their Preparation Methods And Their Use, And Pharmaceutical Compositions Containing The Same THPO, CYP3A5, CYP3A43 PTGES2 77/4885ALDH1A1 951/4885LMNA 3249/4885
US-20090298881-A1 Water-Soluble Artemisinin Derivatives, Their Preparation Methods, the Pharmaceutical Compositions and the Use Thereof NFATC1, THPO, SQLE PTGES2 96/4885ALDH1A1 626/4885LMNA 3827/4885

“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.