SCHEMBL95949

SCHEMBL95949

[c]1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOA P21397 2/20 0.48
APP P05067 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX5 P09917 1/20 0.47
BCHE P06276 2/20 0.46
GSTP1 P09211 1/20 0.46

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
SCHEMBL27810352 0.93 MAOB (0.51) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL7007175 0.93 MAOB (0.45) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL919605 0.89 MAOB (0.50) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL5657715 0.86 TSHR (0.45) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL4914064 0.85 MAOB (0.55) MAOBMAOAALOX5BCHECYP4F2
SCHEMBL14813932 0.84 TSHR (0.44) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL920100 0.84 MAOB (0.53) MAOBMAOAAPPNR4A2
SCHEMBL7971499 0.84 MAOB (0.57) MAOBMAOAAPP
SCHEMBL921839 0.84 SMN1; SMN2 (0.42) APPMAPTRAB9ASMN1; SMN2
SCHEMBL921156 0.84 MAOB (0.50) MAOBMAOAAPPSMN1; SMN2BCHE

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 1521 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP claimed
CN-117756767-A Preparation method of gamma, gamma-difluoroallylaldehyde compound and derivative thereof 南京林业大学 2024-03-26 CN claimed
CN-114369053-B Sulfonyl pyrrolidone series compound and preparation method thereof 浙大城市学院 2023-11-17 CN claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
CN-110668913-B Preparation method of trifluoroethyl compound 江苏三美化工有限公司 2022-09-20 CN claimed
CN-113548998-B N- (2-aryl formaldehyde) -1-aminoindole derivative and synthesis method and application thereof 湖南大学 2022-05-31 CN claimed
EP-3988560-A1 SMALL-MOLECULE COMPOUND HAVING A2A ADENOSINE RECEPTOR ANTAGONISM Academy Of Military Medical Sciences (CN) 2022-04-27 EP claimed
CN-114369053-A Sulfonyl pyrrolidone series compounds and preparation method thereof 浙大城市学院 2022-04-19 CN claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
CN-114096552-A Having a2ASmall molecule compounds with adenosine receptor antagonistic effect 中国人民解放军军事科学院军事医学研究院 2022-02-25 CN claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed
WO-1992019593-A1 NOVEL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-11-12 WO claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-4616002-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1986-10-07 US claimed
EP-0145956-A1 Composés amidés CIBA-GEIGY AG (CH) 1985-06-26 EP claimed
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US claimed
US-4430344-A Antihypertensive 4-thiazolidinecarboxylic acids SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-02-07 US claimed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 US claimed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP claimed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 EP claimed

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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 MAOB 3059/4885LMNA 4433/4885CYP1A2 2567/4885

“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.