SCHEMBL18629949

SCHEMBL18629949

OC1CCCCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
SLC18A3 Q16572 4/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSC P53634 1/20 0.44
CTSF Q9UBX1 1/20 0.44
KCNA5 P22460 1/20 0.44
PDE4D Q08499 1/20 0.44
TACR1 P25103 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6722047 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20582658 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17666343 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19526298 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19684364 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25402397 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30983159 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15229128 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18580897 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22527474 0.89 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4574214-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-06-25 EP disclosed
EP-4308573-B1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHROEDINGER INC (US) 2025-05-07 EP disclosed
US-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-06-20 US disclosed
EP-4308573-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2024-01-24 EP disclosed
CN-117120447-A Cyclic compounds and methods of use thereof 薛定谔公司 2023-11-24 CN disclosed
WO-2022197898-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2022-09-22 WO disclosed
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 EP disclosed
WO-2018229208-A1 METHOD FOR ONE-POT PRODUCTION OF A PRIMARY AMINE FROM AN ALCOHOL ENTRECHEM SL (ES) 2018-12-20 WO disclosed
EP-3415630-A1 METHOD FOR ONE-POT PRODUCTION OF A PRIMARY AMINE FROM AN ALCOHOL EntreChem, S.L. (ES) 2018-12-19 EP disclosed
EP-3239142-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
WO-2017044572-A1 RING CONSTRAINED DIARYLAMINO SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 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-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 PSEN1 4005/4885PSEN2 3544/4885APH1B 2605/4885

“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.