SCHEMBL4395073

SCHEMBL4395073

Cc1ccn(CCO)c(=S)c1CCO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
XDH P47989 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4397436 0.77 NOS2 (0.36)
SCHEMBL16479463 0.73 CA1 (0.39) ALDH1A1LMNAHTTGAACA2
SCHEMBL4396824 0.69 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10
SCHEMBL4391340 0.67 KDM4E (0.39) GAACA2
SCHEMBL31287327 0.64 CA1 (0.33) CA2CA1XDH
SCHEMBL31419445 0.64 CA1 (0.33) LMNACA2CA1XDH
SCHEMBL3365956 0.64 ALDH1A1 (0.44) ALDH1A1LMNATSHRHTTGAA
SCHEMBL24184679 0.63 LMNA (0.34) ALDH1A1LMNACA2CA1HSD17B10
SCHEMBL2521310 0.63 CA1 (0.40) ALDH1A1LMNACA2CA1
SCHEMBL7648217 0.62 ALDH1A1 (0.38) ALDH1A1TSHRHTTGAACA2

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 2570/4885TSHR 3654/4885

“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.