SCHEMBL11259618

SCHEMBL11259618

CC(N)C(=O)OC(C)(C)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
NFKB1 P19838 1/20 0.73
CYP2C19 P33261 1/20 0.73
LMNA P02545 1/20 0.71
PMP22 Q01453 1/20 0.71
NLRP3 Q96P20 1/20 0.71
CTSK P43235 2/20 0.46
TRPA1 O75762 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MMP8 P22894 1/20 0.42
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 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
Hydrochloric Acid SCHEMBL11258201 0.98 LMNA (0.74) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL873285 0.87 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL17512967 0.86 CYP3A4 (0.76) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
Alaproclate SCHEMBL34357 0.84 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL17512979 0.84 CYP3A4 (0.74) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
(S)-Alaproclate SCHEMBL23928818 0.84 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
Bromide SCHEMBL30808753 0.84 CYP3A4 (0.74) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
Alaproclate SCHEMBL29481071 0.84 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
Alaproclate SCHEMBL5784981 0.84 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL29481079 0.84 CYP3A4 (0.69) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076507-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 WO disclosed
US-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 BUCK INSTITUTE FOR RESEARCH ON AGING 2017-08-10 US disclosed
US-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 BUCK INSTITUTE FOR RESEARCH ON AGING 2017-08-10 US disclosed
US-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 BUCK INSTITUTE FOR RESEARCH ON AGING 2017-08-10 US disclosed
EP-3183229-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 The Regents Of The University Of California (US) 2017-06-28 EP disclosed
WO-2016028910-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-25 WO disclosed
WO-2016028910-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-25 WO disclosed
US-4331684-A ARALKYL ESTERS OF AMINO ACIDS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1982-05-25 US disclosed
US-4237311-A ANTIDEPRESSANTS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1980-12-02 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 (2 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-20170226059-A1 APOE4-TARGETED THERAPUTICS THAT INCREASE SIRT1 SIRT1, PSEN2, PSEN1 CYP3A4 4596/4885CYP1A2 4125/4885CYP2D6 4660/4885
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 CYP3A4 4876/4885CYP1A2 4829/4885CYP2D6 4867/4885

“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.