SCHEMBL7995598

SCHEMBL7995598

CCCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 3/20 0.38
ACP1 P24666 2/20 0.38
CDC25B P30305 2/20 0.38
GAA P10253 1/20 0.37
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL28927137 0.89 LMNA (0.54) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL7243740 0.87 PTPN1 (0.49) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL3782935 0.86 PTPN1 (0.51) HSD17B10LMNAALDH1A1KDM4EPOLB
SCHEMBL31603 0.86 BACE1 (0.44) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL20826897 0.85 KDM4E (0.50) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL29663487 0.83 BACE1 (0.40) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL31440186 0.80 KDM4E (0.42) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL9532377 0.79 PTPN1 (0.37) HSD17B10BACE1PTPN1ACP1CDC25B
SCHEMBL9533484 0.79 TSHR (0.43) HSD17B10LMNABACE1ALDH1A1KDM4E
SCHEMBL9672041 0.79 HSD17B10 (0.46) HSD17B10LMNAALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020113209-A1 PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
WO-2020113213-A2 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
EP-2965758-B1 OSTEOPONTIN PRODUCTION INHIBITOR COMPRISING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT UNIV TOHOKU (JP) 2018-01-03 EP disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
US-9463188-B2 Osteopontin production inhibitor containing dictyopyrone derivative or dihydrodictyopyrone derivative as active ingredient TOHOKU UNIVERSITY (JP) 2016-10-11 US disclosed
EP-2965758-A1 OSTEOPONTIN PRODUCTION INHIBITOR COMPRISING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT Tohoku University (JP) 2016-01-13 EP disclosed
CN-105209038-A Osteopontin production inhibitor comprising dictyopyrone derivative or dihydrodictyopyrone derivative as active ingredient UNIV TOHOKU NAT UNIV CORP 2015-12-30 CN disclosed
US-20150366851-A1 OSTEOPONTIN PRODUCTION INHIBITOR CONTAINING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT TOHOKU UNIVERSITY (JP) 2015-12-24 US disclosed
WO-2014136161-A1 OSTEOPONTIN PRODUCTION INHIBITOR COMPRISING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT 国立大学法人東北大学 (JP) 2014-09-12 WO disclosed
US-20130252943-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
WO-2001017977-A1 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-03-15 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 (4 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-20130252943-A1 BICYCLIC OXAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 HSD17B10 2257/4885LMNA 4790/4885BACE1 589/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 HSD17B10 2291/4885LMNA 4778/4885BACE1 3587/4885
US-20150366851-A1 OSTEOPONTIN PRODUCTION INHIBITOR CONTAINING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT SPPL2B, DPYSL3, DIAPH1 HSD17B10 525/4885LMNA 3434/4885BACE1 161/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 HSD17B10 1987/4885LMNA 4371/4885BACE1 3571/4885

“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.