SCHEMBL10067804

SCHEMBL10067804

CCC(C)NC(C)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL19465775 0.77 ALDH1A1 (0.30) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL49756 0.75
SCHEMBL9667218 0.75
SCHEMBL1015106 0.75 TDP1 (0.33) TDP1
SCHEMBL9667176 0.75
SCHEMBL8776143 0.75
SCHEMBL172655 0.75
Bromide SCHEMBL11537123 0.72 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
Hydrochloric Acid SCHEMBL6813796 0.72 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL17041922 0.72 TSHR (0.41) ALDH1A1TP53HSP90AA1CYP3A4THRB

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-20250289831-A1 HIGH PURITY LIGAND-AL-HYDRIDE COMPOSITIONS IMPACT NANO LLC (US) 2025-09-18 US disclosed
US-20120076746-A1 HAIRSPRAY KAO CORPORATION (JP) 2012-03-29 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-20250289831-A1 HIGH PURITY LIGAND-AL-HYDRIDE COMPOSITIONS LDLR, AIP, FCGR2A ALDH1A1 1175/4885TP53 905/4885HSP90AA1 1520/4885
US-20120076746-A1 HAIRSPRAY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10, TIPRL ALDH1A1 4478/4885TP53 4479/4885HSP90AA1 1327/4885

“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.