SCHEMBL444161

SCHEMBL444161

C[CH]OC(=O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MIF P14174 2/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL63153 0.98 CES2 (0.44) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL1441061 0.98 CES2 (0.44) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL8691433 0.95
SCHEMBL6076974 0.90
SCHEMBL28858722 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL17059117 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL72854 0.80 PIK3CD (0.33)
SCHEMBL27530748 0.78 CES2 (0.42) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL14763815 0.76 CES2 (0.46) SMN1; SMN2CES2CES1HTTKMT2A
SCHEMBL6881837 0.76 CES2 (0.46) SMN1; SMN2CES2CES1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP claimed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP claimed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US claimed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US claimed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
CN-114615999-B Drug antibody conjugates 法马马有限公司 2024-03-08 CN disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 US disclosed
EP-3870234-B1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2022-12-21 EP disclosed
CN-115427081-A Drug antibody conjugates 法马马有限公司 2022-12-02 CN disclosed
EP-0503785-A1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-09-16 EP disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 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 (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-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL SMN1; SMN2 3089/4885CES2 2410/4885CES1 1910/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 SMN1; SMN2 2214/4885CES2 1507/4885CES1 1149/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA SMN1; SMN2 3582/4885CES2 2565/4885CES1 2540/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 SMN1; SMN2 4523/4885CES2 1874/4885CES1 515/4885

“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.