SCHEMBL6890550

SCHEMBL6890550

CCCCOC(=O)OC(C)I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.37
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37

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
SCHEMBL6892779 0.94 NAAA (0.47) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL6894957 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31112738 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31112254 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL6895955 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL31112273 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL26450516 0.92 NAAA (0.50) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL27473550 0.91 NAAA (0.48) ALDH1A1TSHRHCAR2NAAALMNA
SCHEMBL6894066 0.88 HCAR2 (0.36) ALDH1A1TSHRHCAR2TDP1ESR1
SCHEMBL452059 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2

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-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
US-5405844-A Tetracyclic antibiotics and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0517065-A1 Tetracyclic beta-lactam antibiotics and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-09 EP 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 (1 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 ALDH1A1 1161/4885ATM 4611/4885TSHR 4209/4885

“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.