SCHEMBL4127530

SCHEMBL4127530

C[Si](C)(C)OC1(C#N)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 2/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL491578 1.00 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL5459307 1.00 ALDH1A1 (0.36) ALDH1A1PDE4APDE7A
SCHEMBL1611506 0.98 ALDH1A1 (0.32) ALDH1A1
SCHEMBL842418 0.93
SCHEMBL8848675 0.89
SCHEMBL5612040 0.89
SCHEMBL5612049 0.89
SCHEMBL16099095 0.82
SCHEMBL2420244 0.80
SCHEMBL26410062 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108178724-B Process for the preparation of compounds 四川大学 2020-09-11 CN claimed
US-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed
US-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed
WO-2023001282-A1 HETEROCYCLE-SUBSTITUTED PYRIMIDINE DERIVATIVE 南京明德新药研发有限公司 2023-01-26 WO disclosed
CN-108178724-B Process for the preparation of compounds 四川大学 2020-09-11 CN disclosed
CN-110105166-A Alpha-hydroxy ketones and its preparation method and application containing talan 同济大学 2019-08-09 CN disclosed
CN-110078693-A Alpha-hydroxy ketones and its preparation method and application containing cumarin 同济大学 2019-08-02 CN disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed
EP-0071079-B1 PROCESS FOR THE PREPARATION OF 2-TRIMETHYLSILYLOXYETHYL AMINES BAYER AG (DE) 1985-04-03 EP disclosed
US-4434289-A CATALYTIC HYDROGENATION OF 1-TRIMETHYLSILYLOXYNITRILES BAYER AKTIENGESELLSCHAFT (DE) 1984-02-28 US disclosed
EP-0071079-A1 Process for the preparation of 2-trimethylsilyloxyethyl amines BAYER AG (DE) 1983-02-09 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 ALDH1A1 858/4885PDE4A 4111/4885PDE7A 3028/4885

“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.