SCHEMBL4967281

SCHEMBL4967281

CC(C)(N)CCOC(C)(C)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.36
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR4 O95977 1/20 0.34
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM4 Q14833 1/20 0.32
CHEK1 O14757 1/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
GRK5 P34947 1/20 0.32

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
SCHEMBL20374757 0.84 NAALAD2 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17297657 0.83 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL14279904 0.82 HMGCR (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL24168564 0.82 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17662429 0.82 NAALAD2 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL21986552 0.81 ALDH1A1 (0.39) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL16204457 0.81 NAALAD2 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL22872160 0.81 NAALAD2 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL25148545 0.81 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL13246588 0.81 NAALAD2 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397672-A1 COMPOUND AND LABELED BIOMATERIAL USING SAME FUJIFILM Corporation (JP) 2024-07-10 EP disclosed
WO-2024143263-A1 FLUORESCENCE INTENSITY ENHANCING AGENT, METHOD FOR ENHANCING FLUORESCENCE INTENSITY OF FLUORESCENTLY LABELED TARGET BIOLOGICAL MATERIAL, AND FLUORESCENCE DETECTION KIT 富士フイルム株式会社 2024-07-04 WO disclosed
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 US disclosed
EP-3950655-B1 METHOD FOR PRODUCING HETERO TYPE MONODISPERSE POLYETHYLENE GLYCOL DERIVATIVE NOF CORP (JP) 2023-11-15 EP disclosed
US-20230324374-A1 Tandem Dyes Having Internally Positioned Sensors, and Methods for Making and Using the Same BECTON, DICKINSON AND COMPANY 2023-10-12 US disclosed
WO-2023196141-A1 TANDEM DYES HAVING INTERNALLY POSITIONED SENSORS, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-10-12 WO disclosed
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 US disclosed
WO-2023124537-A1 CONJUGATE AND ANTIBODY-DRUG CONJUGATE PREPARED USING SAME 辽宁键凯科技有限公司 2023-07-06 WO disclosed
WO-2022130046-A1 N-1 BRANCHED IMIDAZOQUINOLINES, CONJUGATES THEREOF, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-23 WO disclosed
EP-3318591-B1 HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE FOR PRODUCTION OF HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, METHODS FOR PRODUCING SAME, AND HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL CONJUGATE TOHOKU TECHNO ARCH CO LTD (JP) 2022-05-18 EP disclosed
US-20180186931-A1 HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE FOR PRODUCTION OF HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, METHODS FOR PRODUCING SAME, AND HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL CONJUGATE TOHOKU TECHNO ARCH CO., LTD. (JP) 2018-07-05 US disclosed
US-9839687-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-12-12 US disclosed
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-27 US disclosed
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-20 US disclosed
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 US disclosed
US-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-01 US disclosed
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2017-05-25 US disclosed
US-9567346-B2 Biotin derivatives Life Technologies Corporation (US) 2017-02-14 US disclosed
WO-2012058635-A1 BIOTIN DERIVATIVES Life Technologies Corporation (US) 2012-05-03 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 (8 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-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885MEN1 1221/4885CYP1A2 4710/4885
US-11731982-B2 Biotin derivatives BTD, HLCS, BRI3BP ALDH1A1 1909/4885MEN1 4227/4885CYP1A2 3139/4885
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885MEN1 1221/4885CYP1A2 4710/4885
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885MEN1 2819/4885CYP1A2 3037/4885
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885MEN1 2819/4885CYP1A2 3037/4885
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885MEN1 1221/4885CYP1A2 4710/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP ALDH1A1 1909/4885MEN1 4227/4885CYP1A2 3139/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN ALDH1A1 4220/4885MEN1 557/4885CYP1A2 3415/4885

“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.