SCHEMBL48658

SCHEMBL48658

O=Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB1 Q9H4B7 1/20 0.38
KIF11 P52732 1/20 0.36
CYP2A6 P11509 1/20 0.35
ERN1 O75460 1/20 0.34
XDH P47989 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL25520437 0.83 ALDH1A1 (0.35) CES2CES1ALDH1A1SMN1; SMN2KIF11
SCHEMBL29655021 0.83 ALDH1A1 (0.35) CES2CES1ALDH1A1SMN1; SMN2KIF11
SCHEMBL19125728 0.83 SRC (0.41) ALDH1A1SMN1; SMN2TUBB1KIF11CYP2A6
SCHEMBL18002614 0.83 KDM4E (0.46) CES2CES1ALDH1A1SMN1; SMN2TUBB1
SCHEMBL19748916 0.83 ALDH1A1 (0.35) CES2CES1ALDH1A1SMN1; SMN2KIF11
SCHEMBL29950733 0.83 SRC (0.41) ALDH1A1SMN1; SMN2TUBB1KIF11CYP2A6
SCHEMBL19136810 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KIF11
SCHEMBL6738427 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KIF11CYP2A6ERN1
SCHEMBL1811153 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KIF11CYP2A6ERN1
SCHEMBL4331082 0.79 KIF11 (0.49) ALDH1A1SMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120035228-A Polyimide composite film for flexible cover plate of space solar cell 东南大学 2025-05-23 CN claimed
CN-120005333-A Wear-resistant environment-friendly incombustible decorative plate and preparation method thereof 临沂华特装饰材料有限公司 2025-05-16 CN claimed
CN-119875052-A Ion polymer based on flexible main chain, anion exchange membrane and preparation method thereof 武汉轻工大学 2025-04-25 CN claimed
CN-119424664-A Tumor microenvironment response pharmaceutical composition and preparation method and application thereof 北京大学 2025-02-14 CN claimed
CN-118879381-B Lubricating grease composition for bearing and preparation method thereof 广东法航实业有限公司 2025-01-28 CN claimed
CN-119350148-A Synthesis method of 3,4, 5-trifluoro benzaldehyde 蒲城驭腾新材料科技有限公司 2025-01-24 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118085334-A High-tensile swelling-resistant polyvinyl alcohol-based hydrogel and preparation method and application thereof 国科广化(南雄)新材料研究院有限公司 2024-05-28 CN claimed
CN-116284017-B Method for preparing amide compound by utilizing enzyme-like efficient catalytic oxidation 中国科学院青岛生物能源与过程研究所 2024-03-22 CN claimed
US-9840508-B2 N-acyl-(3-substituted)-(8-methyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a] pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor-mediated disorders OGED SA (BE) 2017-12-12 US claimed
US-20170306217-A1 METHOD AND COMPOSITIONS FOR HYDRAULIC FRACTURING AND FOR TRACING FORMATION WATER NCS Multistage, LLC 2017-10-26 US claimed
US-20160304521-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS OGEDA SA (BE) 2016-10-20 US claimed
US-20160289233-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-METHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-a] PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS EUROSCREEN SA (BE) 2016-10-06 US claimed
CN-104151150-B A kind of preparation method of 3,4-bis-(3,4,5-trifluorophenyl)-2,5-diphenyl cyclopentadienone 山东大学 2016-08-24 CN claimed
US-9422299-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists EUROSCREEN SA (BE) 2016-08-23 US claimed
CN-102906093-B NK-3 receptor selective antagonists compound, pharmaceutical composition and the using method in the receptor-mediated disease of NK-3 EUROSCREEN S.A. (BE) 2016-01-13 CN claimed
CN-104447351-A Fluorine-containing diamine monomer with large side group and non-coplanar structure and preparation method of fluorine-containing diamine monomer UNIV GUILIN TECH GUT 2015-03-25 CN claimed
CN-104151150-A Preparation method of 3,4-di(3,4,5-trifluorophenyl)-2,5-diphenylcyclopentyldienone UNIV SHANDONG 2014-11-19 CN claimed
CN-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN 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 (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-20160289233-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-METHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-a] PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS GPR3, KCNK3, ACKR3 CES2 4281/4885CES1 2250/4885ALDH1A1 2828/4885
US-20160304521-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS KCNK3, GPR3, ACKR3 CES2 4028/4885CES1 1895/4885ALDH1A1 2772/4885

“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.