SCHEMBL4396824

SCHEMBL4396824

Cc1cc(C)n(CCO)c(=S)c1CCO

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4396078 0.77 KDM4E (0.42) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL10812558 0.71 ALDH1A1 (1.00) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL4395073 0.69 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL28846850 0.68 LMNA (0.53) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL15710543 0.68 HSD17B10 (0.45) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL4388763 0.67 KDM4E (0.41) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL31419465 0.64 ALDH1A1 (0.48) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL555490 0.64 HRH3 (0.47) ALDH1A1LMNAMAPTKDM4E
SCHEMBL4008341 0.64 PGK1 (0.46) ALDH1A1MAPTHSD17B10KDM4EMEN1
SCHEMBL543570 0.61 ALDH1A1 (0.60) ALDH1A1LMNAMAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 ALDH1A1 27/4885LMNA 2570/4885MAPT 1499/4885

“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.