SCHEMBL19684355

SCHEMBL19684355

OCCC1CCCCCCCC1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
KCNA5 P22460 1/20 0.40
PDE4D Q08499 1/20 0.40
TACR1 P25103 2/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
ATM Q13315 1/20 0.38
CTSV O60911 1/20 0.37
CTSS P25774 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19526307 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28010131 0.89 TACR1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28010132 0.89 TACR1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18611873 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24008144 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26023988 0.83 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21359781 0.80 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11992974 0.80 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15267720 0.80 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19684364 0.78 PSEN1 (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.