SCHEMBL2801378

SCHEMBL2801378

CC(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ELANE P08246 1/20 0.44
POLB P06746 1/20 0.44
NAAA Q02083 1/20 0.42
RIPK1 Q13546 3/20 0.41
KIF11 P52732 2/20 0.41
TSHR P16473 1/20 0.41
IDH1 O75874 2/20 0.40

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
SCHEMBL7881141 1.00 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801381 1.00 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915734 0.87 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915731 0.87 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL13636872 0.85 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL11951509 0.85 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3925572 0.84 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL30032505 0.84 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3925569 0.84 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6952741 0.83 NPC1 (0.51) ALDH1A1GAAHTTNPC1LMNA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718770-B R-homocamptothecin intermediate preparation method UNIV PLA 2ND MILITARY MEDICAL 2014-06-04 CN claimed
CN-102718770-A R-homocamptothecin intermediate preparation method UNIV PLA 2ND MILITARY MEDICAL 2012-10-10 CN claimed
US-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 US disclosed
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
US-20200182617-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-11 US disclosed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 US disclosed
US-10092529-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-09 US disclosed
US-7705155-B2 Processes for the production of useful intermediates SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2010-04-27 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2009-10-01 US disclosed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US disclosed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US disclosed
US-20070167475-A1 Novel Processes for the Production of Useful Intermediates IPSEN/S.C.R.A.S. (ANDRE BOURGOUIN) (FR) 2007-07-19 US disclosed
EP-1794127-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-13 EP disclosed
WO-2006033011-A1 NOVEL PROCESSES FOR THE PRODUCTION OF USEFUL INTERMEDIATES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2006-03-30 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 (7 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-20070167475-A1 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY ALDH1A1 449/4885GAA 888/4885HTT 3815/4885
US-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL ALDH1A1 2786/4885GAA 2827/4885HTT 2157/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL ALDH1A1 2786/4885GAA 2827/4885HTT 2157/4885
US-20090247563-A9 Novel Processes for the Production of Useful Intermediates PGD, TALDO1, COASY ALDH1A1 449/4885GAA 888/4885HTT 3815/4885
US-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 ALDH1A1 4104/4885GAA 3062/4885HTT 3280/4885
US-10092529-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 ALDH1A1 3900/4885GAA 2668/4885HTT 2632/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 ALDH1A1 4104/4885GAA 3062/4885HTT 3280/4885

“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.