SCHEMBL4236238

SCHEMBL4236238

Cc1ncsc1CC(O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A3 Q01959 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.38
MAPT P10636 3/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
GABRR1 P24046 2/20 0.33
HTT P42858 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
SCHEMBL2208741 0.75 KDM4E (0.52) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL28244029 0.75 ALDH1A1 (0.50) KDM4EPKMALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL9359007 0.73 ALDH1A1 (0.52) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL1533842 0.72 ALDH1A1 (0.43) KDM4EPKMALDH1A1LMNAMEN1
Bicarbonate SCHEMBL27829730 0.72 KDM4E (0.52) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL7354802 0.71 ALDH1A1 (0.42) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL25522414 0.68 ALDH1A1 (0.50) KDM4EPKMALDH1A1LMNAMEN1
Acetic Acid SCHEMBL3851421 0.68 ALDH1A1 (0.55) KDM4EPKMALDH1A1LMNAMEN1
Glycine SCHEMBL27820240 0.68 ALDH1A1 (0.50) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL866109 0.67 ALDH1A1 (0.45) KDM4EPKMALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US claimed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US disclosed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US disclosed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO 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-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 KDM4E 3177/4885PKM 1232/4885ALDH1A1 2979/4885

“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.