SCHEMBL9606613

SCHEMBL9606613

CCC(CC)CCCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
CYP3A4 P08684 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
CA2 P00918 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC1A1 P43005 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL17526467 0.90 TSHR (0.52) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL9606614 0.90 TSHR (0.52) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526581 0.90 TSHR (0.52) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL2499138 0.88 L3MBTL1 (0.54) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526916 0.87 TSHR (0.48) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526927 0.87 TSHR (0.48) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL9606840 0.86 TSHR (0.55) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL16976336 0.85 TSHR (0.56) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526490 0.84 TSHR (0.50) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526731 0.84 TSHR (0.50) TSHRCYP3A4ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885CYP3A4 1936/4885ATM 3212/4885

“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.