SCHEMBL3680428

SCHEMBL3680428

CC(C)(C)Oc1ccc([C]=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.45
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PPARA Q07869 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 1/20 0.34
PPARG P37231 2/20 0.32
RIPK1 Q13546 1/20 0.32
MCL1 Q07820 1/20 0.31
FABP2 P12104 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
ABCB11 O95342 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
SCHEMBL9303544 0.81 ACACB (0.56) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL26746 0.80 SLC6A2 (0.44) ACACBSLC6A2SLC6A4SLC6A3PPARA
SCHEMBL2090987 0.77 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3PPARA
SCHEMBL97113 0.77 EPHX2 (0.47) ACACBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10369429 0.77 MEN1 (0.31) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL435736 0.77 KIF11 (0.47) ACACBPPARAMEN1KMT2AKDM4E
SCHEMBL3018959 0.77 ACACB (0.41) ACACBSLC6A2SLC6A4SLC6A3KIF11
SCHEMBL10707563 0.77 ACACB (0.39) ACACBSLC6A2SLC6A4SLC6A3PPARA
SCHEMBL2518037 0.75 KIF11 (0.38) ACACBPPARACYP3A4KIF11PPARG
SCHEMBL17103390 0.74 MAPT (0.32) ACACBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US claimed
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 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 (3 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-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 ACACB 276/4885SLC6A2 2938/4885SLC6A4 1813/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 ACACB 144/4885SLC6A2 1167/4885SLC6A4 1204/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 ACACB 196/4885SLC6A2 4284/4885SLC6A4 4372/4885

“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.