SCHEMBL29634830

SCHEMBL29634830

C=CCCC(=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 4/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 3/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 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
SCHEMBL526441 0.89
SCHEMBL9723829 0.82 TSHR (0.38) KMT2AFAAHTSHRMAPT
SCHEMBL17052579 0.81 FAAH (0.36) KMT2AFAAHALDH1A1EPHX1GAA
SCHEMBL3627474 0.81 CES2 (0.42) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL27921007 0.80 TSHR (0.43) KMT2AFAAHTSHREPHX1ABCC4
SCHEMBL180345 0.79 CES2 (0.37) CES2CES1HDAC8HDAC6KMT2A
SCHEMBL7020777 0.79 CES2 (0.37) CES2CES1HDAC8HDAC6KMT2A
SCHEMBL7020253 0.79 CES2 (0.37) CES2CES1HDAC8HDAC6KMT2A
SCHEMBL327566 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6KMT2A
SCHEMBL20755730 0.77 GRM5 (0.31)

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
EP-3290085-B1 HAIR COLOURING OR BLEACHING COMPOSITION WITH REDUCED ODOUR WELLA OPERATIONS US LLC (US) 2024-11-06 EP disclosed
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-10 US disclosed
US-11771633-B2 Hair coloring or bleaching composition with reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-03 US disclosed
US-11696877-B2 Gel network hair treatment compositions with reduced odor WELLA OPERATIONS US, LLC (US) 2023-07-11 US disclosed
EP-3290086-B1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOUR WELLA OPERATIONS US LLC (US) 2022-07-27 EP 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 CES2 2542/4885CES1 2738/4885HDAC8 1438/4885

“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.