SCHEMBL598619

SCHEMBL598619

CCCCC(CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.45
CCR5 P51681 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTR2A P28223 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPT P10636 1/20 0.40
HRH1 P35367 3/20 0.39
AOC3 Q16853 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL28343866 1.00 NR1I2 (0.49) NR1I2ALDH1A1KDM4ELMNAPOLB
SCHEMBL6685367 0.94 NR1I2 (0.56) NR1I2ALDH1A1KDM4ELMNAPOLB
SCHEMBL6679949 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL28750560 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL28626514 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL3097530 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL7719078 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL28827761 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL6682169 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL28608609 0.92 NR1I2 (0.58) NR1I2ALDH1A1KDM4ELMNASIGMAR1

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
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111727215-B Antioxidant-containing methane-forming crosslinking composition and articles thereof 博里利斯股份公司 2022-08-09 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-11198660-B2 Production of methyl-substituted biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-14 US disclosed
CN-110655456-B Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-11-24 CN disclosed
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2020-10-15 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
CN-110655456-A Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-01-07 CN disclosed
CN-109790364-A THERMOPLASTIC COMPOSITION FOR LASER DIRECT STRUCTURING MEP欧洲有限公司 2019-05-21 CN disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
WO-2003022433-A2 A DERIVATIZED MACROCYCLE COMPOUND FOR COVALENT BONDING TO A SUBSTRATE AND METHOD OF FORMING AND USE DIONEX CORPORATION (US) 2003-03-20 WO disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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-11198660-B2 Production of methyl-substituted biphenyl compounds CYP1B1, CYP1A1, CYP4B1 NR1I2 878/4885ALDH1A1 341/4885KDM4E 252/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS NR1I2 4549/4885ALDH1A1 14/4885KDM4E 1415/4885
US-20200325086-A1 Production of Methyl-substituted Biphenyl Compounds CYP1B1, CYP1A1, CYP4B1 NR1I2 878/4885ALDH1A1 341/4885KDM4E 252/4885

“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.