SCHEMBL21929515

SCHEMBL21929515

CC(CC(C)(C)C)c1ccc(C(C)(C)CC(C)(C)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
GRIA4 P48058 2/20 0.34
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL19285954 0.91 SHBG (0.36) SHBGGRIA4RIPK1CYP3A4SMN1; SMN2
SCHEMBL14685562 0.82 CYP2D6 (0.40) SHBGCYP3A4SMN1; SMN2PDE2ATP53
SCHEMBL14149992 0.81 PDE2A (0.35) SHBGGRIA4PDE2ATP53TSHR
SCHEMBL21933684 0.81 PDE2A (0.37) SHBGGRIA4RIPK1PDE2A
SCHEMBL8352192 0.79 SHBG (0.50) SHBGCYP3A4SMN1; SMN2PDE2ATP53
SCHEMBL5918492 0.79 RIPK1 (0.46) GRIA4RIPK1
SCHEMBL25871900 0.77 SHBG (0.61) SHBGCYP3A4SMN1; SMN2PDE2ATP53
SCHEMBL23956932 0.75 TAAR1 (0.39) GRIA4RIPK1CYP3A4PDE2A
SCHEMBL24533708 0.74 GRIA4 (0.38) SHBGGRIA4RIPK1PDE2A
SCHEMBL23221272 0.73 SHBG (0.45) SHBGCYP3A4SMN1; SMN2TP53TSHR

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-11149066-B2 Thrombospondin 1-binding peptide DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-04-30 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 (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-11149066-B2 Thrombospondin 1-binding peptide SERPINC1, TEK, ARGLU1 SHBG 1524/4885GRIA4 1608/4885RIPK1 1243/4885
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE SERPINC1, TEK, ARGLU1 SHBG 1524/4885GRIA4 1608/4885RIPK1 1243/4885

“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.