SCHEMBL3589625

SCHEMBL3589625

OCC(CN1CCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
MITF O75030 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 6/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 4/20 0.47
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 4/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL8550741 0.84 POLB (0.55) ALDH1A1HTTMITFRAB9AATM
SCHEMBL3594196 0.81 ALDH1A1 (0.47) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL11927945 0.81 ALDH1A1 (0.47) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL7790826 0.80 ALDH1A1 (0.46) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL6614794 0.78 SMN1; SMN2 (0.52) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL5708573 0.78 SIGMAR1 (0.63) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17810249 0.78 ALDH1A1 (0.55) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL9058434 0.77 NTSR1 (0.45) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL6979453 0.77 GAA (0.71) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL1205842 0.77 GAA (0.71) ALDH1A1HTTMITFRAB9AGFER

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-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-113493628-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2023-06-23 CN disclosed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN disclosed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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 (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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF ALDH1A1 4107/4885HTT 1131/4885MITF 1899/4885

“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.