SCHEMBL12082008

SCHEMBL12082008

CCCOCCOCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ABCB11 O95342 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12224689 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL16546825 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL13566394 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL12508099 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL274348 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL11570949 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL17021464 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL16546834 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL3425470 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1
SCHEMBL11969800 1.00 TSHR (0.39) TSHRCYP3A4CA2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOG (CN) 2023-05-25 US disclosed
EP-3419420-B1 LECITHIN-BASED SPRAY ADJUVANT CONTAINING ORGANOSILICON WETTING AGENTS MOMENTIVE PERFORMANCE MAT INC (US) 2022-06-22 EP disclosed
WO-2017210009-A1 PHOTOLABILE COMPOSITIONS AS A STABILIZATION PLATFORM NANOLY BIOSCIENCE, INC. (US) 2017-12-07 WO disclosed
US-8927674-B2 Dehydrogenative silylation and crosslinking using cobalt catalysts PRINCETON UNIVERSITY (US) 2015-01-06 US disclosed
US-20140051822-A1 Dehydrogenative Silylation and Crosslinking Using Cobalt Catalysts PRINCETON UNIVERSITY (US) 2014-02-20 US disclosed
US-8258259-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2012-09-04 US disclosed
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry STARPHARMA PTY LIMITED (AU) 2009-05-07 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 (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-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry MICA, PICALM, CLTB TSHR 3447/4885CYP3A4 3414/4885CA2 3784/4885
US-20140051822-A1 Dehydrogenative Silylation and Crosslinking Using Cobalt Catalysts SIRT4, SIRT3, SIRT2 TSHR 3489/4885CYP3A4 156/4885CA2 1565/4885
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof CD47, FCGR2A, CD40 TSHR 782/4885CYP3A4 4599/4885CA2 1923/4885

“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.