SCHEMBL95965

SCHEMBL95965

CCCCOC(=O)CC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
ATM Q13315 1/20 0.47
DGKA P23743 1/20 0.45
TSHR P16473 4/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
HTR2C P28335 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
DNM1 Q05193 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL15234462 0.94 NAAA (0.59) ALDH1A1NAAAATMDGKATSHR
SCHEMBL9294114 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL15796763 0.92 NAAA (0.62) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL23925422 0.88 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL31058603 0.87 NAAA (0.39) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL9001086 0.85 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL15876200 0.85 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL522692 0.85 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL95964 0.83 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
Ammonia Solution, Strong SCHEMBL27789119 0.83 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042727-A1 COMPLEX OF 3-HYDROXY-3-METHYLBUTYRIC ACID AND SALT THEREOF, AND PREPARATION METHOD THEREFOR NANJING NUTRABUILDING BIO TECH CO LTD (CN) 2026-02-12 US claimed
WO-2024153236-A1 COMPLEX OF 3-HYDROXY-3-METHYLBUTYRIC ACID AND SALT THEREOF, AND PREPARATION METHOD THEREFOR 南京纽邦生物科技有限公司 2024-07-25 WO claimed
US-20260042727-A1 COMPLEX OF 3-HYDROXY-3-METHYLBUTYRIC ACID AND SALT THEREOF, AND PREPARATION METHOD THEREFOR NANJING NUTRABUILDING BIO TECH CO LTD (CN) 2026-02-12 US disclosed
WO-2024153236-A1 COMPLEX OF 3-HYDROXY-3-METHYLBUTYRIC ACID AND SALT THEREOF, AND PREPARATION METHOD THEREFOR 南京纽邦生物科技有限公司 2024-07-25 WO disclosed
US-9885886-B2 UV blocker loaded contact lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-20170212365-A1 UV Blocker Loaded Contact Lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-07-27 US disclosed
US-9594188-B2 UV blocker loaded contact lenses UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-03-14 US disclosed
CN-104107700-A Industrial organic exhaust gas combustion catalyst and preparation method thereof LANZHOU CHEM PHYS INST 2014-10-22 CN disclosed
EP-2788815-A1 UV BLOCKER LOADED CONTACT LENSES University of Florida Research Foundation, Inc. (US) 2014-10-15 EP disclosed
US-20140288206-A1 UV BLOCKER LOADED CONTACT LENSES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2014-09-25 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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-20260042727-A1 COMPLEX OF 3-HYDROXY-3-METHYLBUTYRIC ACID AND SALT THEREOF, AND PREPARATION METHOD THEREFOR HCN3, CPT1B, PYGM ALDH1A1 4110/4885NAAA 3858/4885ATM 761/4885

“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.