SCHEMBL8994063

SCHEMBL8994063

C=CCc1ncc(O)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IMPDH2 P12268 1/20 0.30
HCAR3 P49019 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
SCHEMBL1763464 0.76 NPC1 (0.38) KDM4E
SCHEMBL11407432 0.76 XDH (0.30) XDH
SCHEMBL458710 0.76 IMPDH2 (0.33) IMPDH2
SCHEMBL10837168 0.74 HCAR3 (0.51) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL10837157 0.74 HCAR3 (0.40) HCAR3
Phenol SCHEMBL10346254 0.73 CA12 (0.42) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL175905 0.72
SCHEMBL10633551 0.71 PDXK (0.34) XDHGABRA1GABRB2KDM4EMEN1
SCHEMBL10998624 0.71 IMPDH2 (0.35) IMPDH2
SCHEMBL10824003 0.71 KDM4E (0.42) KDM4EMEN1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502190-A DEHYDROHALOGENATION IN THE PRESENCE OF PHASE TRANSFER CATALYST, SOLVENT AND ALKALI METAL HYDROXIDE BAYER CORPORATION (US) 1996-03-26 US claimed
US-5248776-A Multistage reaction with sulfiding, cyclization and oxidative cleavage UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-09-28 US claimed
US-5189166-A Vapor phase cyclization, dehydrogenation with manganese dioxide DOWELANCO (US) 1993-02-23 US claimed
WO-1992010496-A1 ENANTIOMERICALLY PURE β-L-(-)-1,3-OXATHIOLANE NUCLEOSIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-06-25 WO claimed
CN-110752298-B Organic solar cell active layer based on hydroxypyrimidine derivative additive and preparation method thereof 常州大学 2023-03-24 CN disclosed
CN-110752298-B Organic solar cell active layer based on hydroxypyrimidine derivative additive and preparation method thereof 常州大学 2023-03-24 CN disclosed
CN-110752298-A Organic solar cell active layer based on hydroxypyrimidine derivative additive and preparation method thereof 常州大学 2020-02-04 CN disclosed
CN-110752298-A Organic solar cell active layer based on hydroxypyrimidine derivative additive and preparation method thereof 常州大学 2020-02-04 CN disclosed
US-9828409-B2 Bridged-cyclo-ProTides as prodrugs of therapeutic nucleosides and nucleotides ZHONG MINGHONG (US) 2017-11-28 US disclosed
US-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides ZHONG MINGHONG (US) 2015-09-24 US disclosed
US-5502190-A DEHYDROHALOGENATION IN THE PRESENCE OF PHASE TRANSFER CATALYST, SOLVENT AND ALKALI METAL HYDROXIDE BAYER CORPORATION (US) 1996-03-26 US disclosed
US-5248776-A Multistage reaction with sulfiding, cyclization and oxidative cleavage UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-09-28 US disclosed
US-5189166-A Vapor phase cyclization, dehydrogenation with manganese dioxide DOWELANCO (US) 1993-02-23 US disclosed
US-5189166-A Vapor phase cyclization, dehydrogenation with manganese dioxide DOWELANCO (US) 1993-02-23 US disclosed
US-5189166-A Vapor phase cyclization, dehydrogenation with manganese dioxide DOWELANCO (US) 1993-02-23 US disclosed
US-4729987-A Insecticidal O,O-diethyl-O-(2-(1,1-dimethylethyl)-5-pyrimidinyl)-phosphorothioate THE DOW CHEMICAL COMPANY (US) 1988-03-08 US disclosed
US-4654329-A Insecticidal, miticidal or nematocidal phosphorus esters of 5-pyrimidinols THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
US-4486422-A SYSTEMIC THE DOW CHEMICAL COMPANY (US) 1984-12-04 US disclosed
US-4429125-A INSECTICIDES FOR APPLICATION TO SOILS THE DOW CHEMICAL CO. (US) 1984-01-31 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 (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-20150266918-A1 Bridged-Cyclo-ProTides as Prodrugs of Therapeutic Nucleosides and Nucleotides TYMP, ENPP3, PNP XDH 3495/4885GABRA1 4233/4885GABRB2 3918/4885

“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.