SCHEMBL786722

SCHEMBL786722

C=CCCCCCCCCCCCCCC.C=CN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 2/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL787107 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL27601371 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL6229884 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL3674032 1.00 TSHR (0.48) TSHRALDH1A1ALOX5FAAHMGLL
Hexadecane SCHEMBL369966 0.92 ALOX5 (0.42) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL22973525 0.92 ALOX5 (0.42) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL27962943 0.84 ALOX5 (0.37) ALDH1A1ALOX5FAAHMGLL
1-Pentanol SCHEMBL28649677 0.83 SMN1; SMN2 (0.38) TSHRALDH1A1ALOX5FAAHMGLL
SCHEMBL1569225 0.82 BRD4 (0.39) TSHRALDH1A1
SCHEMBL11109025 0.82 EP300 (0.40)

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113032-A1 Scalp Desensitizing Formulation BMM POWERMOVES, LLC (US) 2008-05-15 US claimed
US-20030049283-A1 Scalp desensitizing formulation BMM POWERMOVES, LLC 2003-03-13 US claimed
EP-0838498-B1 CARBOXYLATED POLYMER COMPOSITION SUMITOMO SEIKA CHEMICALS (JP) 2002-11-13 EP claimed
WO-1996002577-A1 RESPONSIVE POLYMER GEL BEADS GEL SCIENCES, INC. (US) 1996-02-01 WO claimed
WO-2024059862-A2 FIBROIN PEPTIDES AND PROTEIN FRAGMENTS COMPOSITIONS EVOLVED BY NATURE, INC. (US) 2024-03-21 WO disclosed
WO-2023201208-A1 1,3-BUTYLENE GLYCOL COMPOSITIONS AND METHODS OF USE GENOMATICA, INC. (US) 2023-10-19 WO disclosed
WO-2023069956-A1 SILK STIMULATED COLLAGEN AND CLAUDIN-1 EXPRESSION, AND SILK STIMULATED ANTI-INFLAMMATORY EFFECTS EVOLVED BY NATURE, INC. (US) 2023-04-27 WO disclosed
CN-111356674-B Novel ceramide-like compounds having improved stability and compositions comprising the same 爱敬产业株式会社 2022-12-23 CN disclosed
US-20220401335-A1 SILK HAIR CARE COMPOSITIONS EVOLVED BY NATURE, INC. (US) 2022-12-22 US disclosed
EP-3955886-A1 SILK HAIR CARE COMPOSITIONS Evolved by Nature, Inc. (US) 2022-02-23 EP disclosed
WO-2020247887-A1 SILK STIMULATED COLLAGEN PRODUCTION AND METHODS OF USE THEREOF EVOLVED BY NATURE, INC. (US) 2020-12-10 WO disclosed
WO-2020214854-A1 SILK HAIR CARE COMPOSITIONS EVOLVED BY NATURE, INC. (US) 2020-10-22 WO disclosed
WO-2004112732-A2 MODIFIED SOY PROTEINS IN SKIN TIGHTENING COMPOSITIONS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO disclosed
WO-2004112745-A1 MODIFIED SOY PROTEINS IN PERSONAL CARE COMPOSITIONS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-29 WO disclosed
US-20040170590-A1 Water-soluble silk proteins in compositions for skin care, hair care or hair coloring E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-02 US disclosed
US-6497889-B2 CONTAINING HYDROXYPROLINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-24 US disclosed
US-20020009472-A1 Cosmetics KYOWA HAKKO BIO CO., LTD. (JP) 2002-01-24 US disclosed
EP-1166767-A2 Skin care product containing hydroxyproline or N-acylated hydroxyproline derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-01-02 EP disclosed
EP-0414073-A2 Process for the preparation of polyurethane powders BAYER AG (DE) 1991-02-27 EP disclosed
EP-0414085-A2 Surface-active copolymers and their use in the preparation of polyurethane powders BAYER AG (DE) 1991-02-27 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-20220401335-A1 SILK HAIR CARE COMPOSITIONS CUTA, KRT18, MATR3 TSHR 4397/4885ALDH1A1 3906/4885ALOX5 2157/4885

“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.