SCHEMBL259449

SCHEMBL259449

CC(=O)OCC1CCC=CO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
PDK1 Q15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL260743 1.00 NLRP3 (0.36) NLRP3PDK1ALDH1A1TP53CYP3A4
SCHEMBL27921332 0.86 ALDH1A1 (0.40) NLRP3ALDH1A1TSHR
SCHEMBL1871684 0.84 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4TSHR
SCHEMBL11207152 0.83 CHRM5 (0.35) ALDH1A1TSHR
SCHEMBL11640528 0.83 LMNA (0.34) ALDH1A1LMNA
SCHEMBL11637868 0.83 POLB (0.32) ALDH1A1TSHR
SCHEMBL8428847 0.83 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL18570723 0.80 LMNA (0.51) ALDH1A1LMNA
SCHEMBL4304520 0.80 TP53 (0.37) TP53CYP3A4LMNA
SCHEMBL8429838 0.80 LMNA (0.47) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129274-B2 Modular synthesis of aminoglycosides REVAGENIX, INC. (US) 2024-10-29 US disclosed
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors ABBVIE INC. (US) 2024-04-23 US disclosed
US-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors ABBVIE INC. (US) 2023-07-27 US disclosed
WO-2023141536-A1 1,3,4,7-TETRAHYDRO-2H-PYRROLO [3',2':5,6] PYRIDO[2,3-B] [1,4] OXAZEPINE BC1-2 INHIBITORS ABBVIE INC. (US) 2023-07-27 WO disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
US-11673907-B2 Modular synthesis of aminoglycosides REVAGENIX, INC. (US) 2023-06-13 US disclosed
US-11673907-B2 Modular synthesis of aminoglycosides REVAGENIX, INC. (US) 2023-06-13 US disclosed
US-20230167148-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES REVAGENIX, INC. 2023-06-01 US disclosed
US-20060128652-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2006-06-15 US disclosed
WO-2006034190-A2 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
EP-0039060-B1 A NEW METHOD FOR PREPARATION OF ANTHRACYCLINE DERIVATIVES Zaidanhojin Biseibutsu Kagaku Kenkyukai (JP) 1986-08-06 EP disclosed
EP-0014853-B1 ANTHRACYCLINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Zaidanhojin Biseibutsu Kagaku Kenkyukai (JP) 1983-06-01 EP disclosed
US-4360664-A ANTITUMOR AGENT, ANTIBIOTIC ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-11-23 US disclosed
US-4303785-A ETHERS OF ADRIAMYCIN AND DAUNORUBICIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1981-12-01 US disclosed
EP-0039060-A1 A new method for preparation of anthracycline derivatives Zaidanhojin Biseibutsu Kagaku Kenkyukai (JP) 1981-11-04 EP disclosed
EP-0039060-A1 A new method for preparation of anthracycline derivatives Zaidanhojin Biseibutsu Kagaku Kenkyukai (JP) 1981-11-04 EP disclosed
EP-0014853-A1 Anthracycline derivatives, a process for their preparation and pharmaceutical compositions containing them Zaidanhojin Biseibutsu Kagaku Kenkyukai (JP) 1980-09-03 EP disclosed
US-4107289-A Use of substituted pyrans as deodorant chemicals NAARDEN INTERNATIONAL HOLLAND, B.V. (NL) 1978-08-15 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 (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-11673907-B2 Modular synthesis of aminoglycosides MRPL21, COASY, AARS1 NLRP3 3617/4885PDK1 1104/4885ALDH1A1 4379/4885
US-12129274-B2 Modular synthesis of aminoglycosides MRPL21, COASY, AARS1 NLRP3 3617/4885PDK1 1104/4885ALDH1A1 4379/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN NLRP3 716/4885PDK1 1226/4885ALDH1A1 3975/4885
US-20230167148-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES MRPL21, COASY, AARS1 NLRP3 3617/4885PDK1 1104/4885ALDH1A1 4379/4885
US-20230234971-A1 1,3,4,7-Tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[2,3-b][1,4]oxazepine Bcl-2 Inhibitors BCL9L, BCL2L1, BCL2L2 NLRP3 3820/4885PDK1 1620/4885ALDH1A1 912/4885
US-11964990-B2 1,3,4,7-tetrahydro-2H-pyrrolo[3′,2′:5,6]pyrido[2,3-b][1,4]oxazepine bcl-2 inhibitors BCL9L, BCL2L1, BCL9 NLRP3 3844/4885PDK1 1644/4885ALDH1A1 920/4885
US-20060128652-A1 Purine derivatives and methods of use thereof PNP, NUDT1, HPRT1 NLRP3 61/4885PDK1 340/4885ALDH1A1 488/4885

“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.