SCHEMBL19684364

SCHEMBL19684364

OC1CCCCCCCC1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
SLC18A3 Q16572 4/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
CTSV O60911 1/20 0.43
CTSS P25774 1/20 0.43
CTSC P53634 1/20 0.43
CTSF Q9UBX1 1/20 0.43
KCNA5 P22460 1/20 0.43
PDE4D Q08499 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
TACR1 P25103 1/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19526298 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17666343 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18629949 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6722047 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20582658 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25402397 0.95 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30983159 0.95 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15229128 0.95 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18580897 0.95 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21827919 0.87 PDE4D (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 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-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 PSEN1 2426/4885PSEN2 2644/4885APH1B 1698/4885

“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.