SCHEMBL95323

SCHEMBL95323

C=CCCC(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.44
AOC3 Q16853 5/20 0.44
MAPK1 P28482 1/20 0.40

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
SCHEMBL7484922 1.00 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1CYP2C19
Sulfuric Acid SCHEMBL11756260 0.91 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1CYP2C19
SCHEMBL2745411 0.90 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1CYP2C19
SCHEMBL9226022 0.86 RIPK1 (0.50) RIPK1LMNAKDM4EL3MBTL1CYP2C19
SCHEMBL10187504 0.84 SRD5A2 (0.44) RIPK1
SCHEMBL9405193 0.81 PTGS1 (0.47) RIPK1KDM4EL3MBTL1AOC3
SCHEMBL8510683 0.80 HRH1 (0.50) LMNACYP2C19
SCHEMBL244975 0.80 CYP2C19 (0.42) RIPK1LMNAKDM4EL3MBTL1CYP2C19
SCHEMBL2690630 0.80 CYP2C19 (0.40) RIPK1CYP2C19
SCHEMBL2691428 0.80 AOC3 (0.44) RIPK1LMNAL3MBTL1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3093780-A None JP disclosed
CN-117603027-A Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same 重庆理工大学 2024-02-27 CN disclosed
EP-3953324-A1 PHOTOREDOX CATALYICALLY SELECTIVE ACTIVATION OF SULPHUR HEXAFLUORIDE FOR ALPHA-ALKOXY PENTAFLOUORSULFONATION OF UNSATURATED HYDROCARBON COMPOUNDS AND DERIVATISATION TO FORM UNSATURATED PENTAFLOUORSULFANES Karlsruher Institut für Technologie (DE) 2022-02-16 EP disclosed
WO-2020207620-A1 PHOTOREDOX CATALYICALLY SELECTIVE ACTIVATION OF SULPHUR HEXAFLUORIDE FOR ALPHA-ALKOXY PENTAFLOUORSULFONATION OF UNSATURATED HYDROCARBON COMPOUNDS AND DERIVATISATION TO FORM UNSATURATED PENTAFLOUORSULFANES Karlsruher Institut für Technologie (DE) 2020-10-15 WO disclosed
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 US disclosed
EP-1157020-B1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCIN-10-OLS, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-09-25 EP disclosed
WO-2001094355-A1 CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-12-13 WO disclosed
EP-1157020-A1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCIN-10-OLS, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-11-28 EP disclosed
US-6245777-B1 SODIUM CHANNEL MODULATORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-12 US disclosed
WO-2000050421-A1 SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCIN-10-OLS, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-31 WO disclosed
EP-0570401-B1 LIPOXYGENASE-INHIBITING HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES PFIZER (US) 1994-11-09 EP disclosed
EP-0570401-A1 LIPOXYGENASE-INHIBITING HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES. PFIZER (US) 1993-11-24 EP disclosed
WO-1992013848-A1 LIPOXYGENASE-INHIBITING HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES PFIZER INC. (US) 1992-08-20 WO disclosed
JP-H0393780-A PRODUCTION OF 2-(1-HYDROXYALKYL) TETRAHYDROFURANS MITSUI PETROCHEM IND LTD 1991-04-18 JP 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA RIPK1 3343/4885LMNA 4232/4885KDM4E 2413/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RIPK1 1141/4885LMNA 4860/4885KDM4E 3919/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 RIPK1 2121/4885LMNA 2315/4885KDM4E 4276/4885

“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.