SCHEMBL18101263

SCHEMBL18101263

NCc1ccc2c(c1)OCCOCCOCCOCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 5/20 0.53
HTT P42858 3/20 0.53
BLM P54132 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP2D6 P10635 1/20 0.46
SLC6A4 P31645 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18101238 1.00 MAPT (0.56) MAPTKDM4EGAALMNAHTT
SCHEMBL18101265 1.00 MAPT (0.56) MAPTKDM4EGAALMNAHTT
SCHEMBL18101286 1.00 MAPT (0.56) MAPTKDM4EGAALMNAHTT
SCHEMBL110634 0.94 CD274 (0.57) MAPTKDM4EGAALMNAHTT
Hydrochloric Acid SCHEMBL3761404 0.92 CD274 (0.55) MAPTKDM4EGAALMNAHTT
SCHEMBL111534 0.86 TAAR1 (0.52) MAPTGAALMNACD274TAAR1
SCHEMBL29463278 0.82 TAAR1 (0.71) MAPTGAATAAR1CYP2D6SLC6A4
SCHEMBL57649 0.82 TAAR1 (0.71) MAPTGAATAAR1CYP2D6SLC6A4
SCHEMBL12764442 0.81 LMNA (0.53) MAPTKDM4EGAALMNAHTT
SCHEMBL18101275 0.81 MAPT (0.53) MAPTKDM4EGAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits TECAN SP, INC. (US) 2019-09-26 US disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 US disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 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 (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-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits CYP2C8, CES2, UGT1A8 MAPT 2114/4885KDM4E 152/4885GAA 1333/4885

“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.