SCHEMBL9606840

SCHEMBL9606840

CCC(CC)CCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
SLC1A1 P43005 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 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
SCHEMBL17526858 0.89 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL17526925 0.89 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL28291054 0.89 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL21052354 0.89 TSHR (0.48) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL11365137 0.87 TSHR (0.46) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL9606613 0.86 TSHR (0.58) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL17526895 0.86 TSHR (0.44) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL27833079 0.86 CA2 (0.61) TSHRCYP3A4ATMTDP1CA2
SCHEMBL17526988 0.86 TSHR (0.44) TSHRSLC1A1KMT2AMEN1CYP3A4
SCHEMBL12561138 0.85 TSHR (0.42) TSHRSLC1A1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN 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 (2 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885SLC1A1 3465/4885KMT2A 2418/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885SLC1A1 3465/4885KMT2A 2418/4885

“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.