SCHEMBL29634825

SCHEMBL29634825

CCC(C)(CC)OCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
RIPK1 Q13546 1/20 0.43
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12403600 0.82 HTT (0.46) HTTRIPK1GAATAAR1NPC1
SCHEMBL21790520 0.79 HTT (0.41) HTTRIPK1GAATAAR1NPC1
SCHEMBL8057921 0.72
SCHEMBL862369 0.71
SCHEMBL20381561 0.71 RIPK1 (0.46) HTTRIPK1TAAR1CYP2C19MEN1
SCHEMBL12394783 0.71 SMN1; SMN2 (0.54) HTTTAAR1NPC1RAB9ASLC1A3
SCHEMBL6733610 0.71 TAAR1 (0.50) HTTGAATAAR1NPC1RAB9A
SCHEMBL3593018 0.70 HTT (0.47) HTTRIPK1GAATAAR1NPC1
SCHEMBL28446140 0.69 TAAR1 (0.41) HTTTAAR1NPC1RAB9ASLC1A3
SCHEMBL7444567 0.69 MAPK1 (0.46) HTTGAATAAR1NPC1RAB9A

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-11779530-B2 Composition for the permanent deformation of hair having reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-10 US disclosed
EP-3295925-B2 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORP (US) 2022-05-18 EP 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-11779530-B2 Composition for the permanent deformation of hair having reduced odor OR51E2, MAL2, OR10J3 HTT 2120/4885RIPK1 4795/4885GAA 3697/4885

“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.