SCHEMBL6231047

SCHEMBL6231047

CC(CO)CCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18125121 1.00 TSHR (0.48) TSHRALDH1A1MEN1CYP3A4ALOX15
SCHEMBL3897447 0.87 TSHR (0.46) TSHRALDH1A1MEN1CYP3A4ALOX15
SCHEMBL13839555 0.87 TSHR (0.46) TSHRALDH1A1MEN1CYP3A4ALOX15
SCHEMBL11651471 0.83 TSHR (0.42) TSHRALDH1A1MEN1CYP3A4ALOX15
SCHEMBL8719687 0.82 TSHR (0.34) TSHRALDH1A1TDP1
SCHEMBL29255967 0.81 TSHR (0.65) TSHRALDH1A1
SCHEMBL29011335 0.81 TSHR (0.41) TSHRALDH1A1MEN1CYP3A4ALOX15
SCHEMBL4036012 0.81 TSHR (0.50) TSHRTDP1
SCHEMBL4041345 0.81 TSHR (0.50) TSHRTDP1
SCHEMBL2146861 0.81 TSHR (0.50) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165058-B1 AZALIDE ANTIBIOTICS FOR THE TOPICAL TREATMENT OR PREVENTION OF OCULAR INFECTIONS INSITE VISION INC (US) 2005-05-25 EP claimed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN claimed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
CN-116456984-A Stable crystalline hydrate of claritan disodium salt 爱杜西亚药品有限公司 2023-07-18 CN disclosed
CN-108367348-B Metal nanoparticle dispersions 爱克发-格法特公司 2021-05-07 CN disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-5132367-A Compositions obtained by curing an acetoacetylated poly(meth)acrylic or polyester-based resin and an isocyanate-free polyurethane GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1992-07-21 US disclosed
EP-0098241-B1 HYDROQUINONE ETHERS AND A PROCESS FOR PREPARING THEM CIBA-GEIGY AG (CH) 1985-10-02 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885ALDH1A1 3811/4885MEN1 4835/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885ALDH1A1 3811/4885MEN1 4835/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TSHR 2756/4885ALDH1A1 3939/4885MEN1 4877/4885

“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.