SCHEMBL5713993

SCHEMBL5713993

C=C(C)c1ccc2c(c1)[CH]CCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ KARS1 Q15046 2/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXRA P19793 2/20 0.30
▸ RXRB P28702 2/20 0.30
▸ RXRG P48443 2/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17288542 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1NPC1RAB9AMAPT
SCHEMBL1451509 0.72 MAOA (0.40) —
SCHEMBL14344095 0.71 ALDH1A1 (0.45) PDE4DALDH1A1KARS1L3MBTL1NPC1
SCHEMBL5713754 0.68 PNMT (0.37) L3MBTL1MAPT
SCHEMBL3540396 0.68 KDM1A (0.39) NPC1RAB9A
SCHEMBL2879790 0.68 NPC1 (0.39) ALDH1A1L3MBTL1RXRARXRBRXRG
SCHEMBL5713796 0.68 DRD2 (0.43) —
SCHEMBL5713995 0.68 PDE4D (0.34) PDE4DALDH1A1KARS1HTR7
SCHEMBL13618597 0.68 ALDH1A1 (0.36) PDE4DALDH1A1KARS1HTR7NPC1
SCHEMBL2870812 0.66 MAPT (0.48) PDE4DALDH1A1KARS1HTR7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 PDE4D 2742/4885ALDH1A1 2677/4885KARS1 3017/4885

“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.

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