SCHEMBL6786247

SCHEMBL6786247

CCCOC(OCCC)=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
THRB P10828 1/20 0.38
PGGT1B P53609 1/20 0.38
TSHR P16473 4/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 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
SCHEMBL31186332 0.86 ALDH1A1 (0.58) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL6553346 0.81 HCAR2 (0.43) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL4892609 0.81 HCAR2 (0.43) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL1630557 0.81 TSHR (0.38) ALDH1A1TSHR
SCHEMBL6786515 0.80 ALDH1A1 (0.50) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL7772523 0.79 HCAR2 (0.42) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL7771313 0.79 HCAR2 (0.42) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL6877096 0.79 HCAR2 (0.42) HCAR2LMNAALDH1A1FNTAFNTB
SCHEMBL9757786 0.78 HCAR2 (0.45) HCAR2LMNAALDH1A1TSHRESR1
SCHEMBL7758324 0.77 HCAR2 (0.41) HCAR2LMNAALDH1A1FNTAFNTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses 3M ESPE AG (DE) 2004-12-23 US disclosed
US-6833425-B1 Filler for plastic formulations based on polyurethane 3M ESPE AG (DE) 2004-12-21 US disclosed
US-6767935-B1 CATIONIC POLYMERIZATION OF UNSATURATED CARBONIC ACIDS, ANHYDRIDES OR ACID CHLORIDES, PHOSPHORIC OR PHOSPHONIC ACID OR ESTERS, SULFONIC ACIDS OR ESTERS; CURING 3M ESPE AG (DE) 2004-07-27 US 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 (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-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses ITGA2, ITGB2, ITGA2B HCAR2 599/4885LMNA 4232/4885ALDH1A1 453/4885

“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.