SCHEMBL725816

SCHEMBL725816

C=C(C)C(=O)[N+](C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 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
Hydrochloric Acid SCHEMBL31387077 0.97 THRB (0.34) TDP1ALDH1A1THRBCYP2C19TSHR
SCHEMBL17036766 0.80 BBOX1 (0.34) TDP1TSHR
Hydrochloric Acid SCHEMBL8682761 0.78 TSHR (0.35) TDP1THRBTSHRPOLBBLM
SCHEMBL8399531 0.76 TDP1 (0.36) TDP1ALDH1A1THRBTSHR
SCHEMBL12522537 0.75 MEN1 (0.36) TDP1
SCHEMBL17846597 0.75 TDP1 (0.32) TDP1
SCHEMBL4602343 0.73 TSHR (0.44) TSHR
Hydrochloric Acid SCHEMBL29163692 0.73 BBOX1 (0.37) TDP1ALDH1A1ATM
Hydrochloric Acid SCHEMBL28899670 0.72 TSHR (0.47) TSHR
Hydrochloric Acid SCHEMBL28899614 0.72 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093812-A2 DOUBLE LAYERED POLYMER CAPSULES FOR THE STABILIZATION OF CAROTENOIDS, THE PROCESS FOR PREPARING THE SAME, AND THE COSMETIC COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-07-30 WO claimed
US-4479782-A Visible light-cured orthodontic adhesive SCIENTIFIC PHARMACEUTICALS, INC. (US) 1984-10-30 US claimed
EP-4588525-A1 SILICONE PARTICLES FOR COSMETICS, AND COSMETICS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-07-23 EP disclosed
US-12365766-B2 Organopolysiloxane composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-07-22 US disclosed
EP-4512872-A1 SURFACTANT AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-02-26 EP disclosed
US-20250041197-A1 OIL-GELLING AGENT AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-02-06 US disclosed
EP-4445960-A1 OIL-GELLING AGENT AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-10-16 EP disclosed
US-20240252417-A1 OIL GELLING AGENT AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-08-01 US disclosed
EP-3221384-B1 WATER-SOLUBLE SUPRAMOLECULAR COMPLEXES BRODA TECH LLC (US) 2024-05-01 EP disclosed
EP-4353798-A1 OIL GELLING AGENT AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-04-17 EP disclosed
WO-2023203916-A1 SURFACTANT AND COSMETIC 信越化学工業株式会社 2023-10-26 WO disclosed
US-20050053571-A1 Cosmetic composition DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-03-10 US disclosed
EP-1449510-A1 HAIR CARE PRODUCTS Shin-Etsu Chemical Company, Ltd. (JP) 2004-08-25 EP disclosed
US-20040091439-A1 Powder composition, a dispersion of powder in oil, and a cosmetic comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-05-13 US disclosed
US-20030145395-A1 Hair dye compositions for dressing the hair COSMOBEAUTY CO., LTD. (JP) 2003-08-07 US disclosed
EP-0743847-B1 HAIR COSMETIC COMPOSITION KAO CORP (JP) 2001-05-30 EP disclosed
JP-2000256138-A HAIR DRESSING AND HAIR DRESSING FOAM C T C JAPAN:KK 2000-09-19 JP disclosed
US-5403357-A Stability YAMAHATSU SANGYO KAISHA, LTD. (JP) 1995-04-04 US disclosed
US-4648845-A Method for repairing of veneered dental cast restoration SCIENTIFIC PHARMACEUTICALS, INC. (US) 1987-03-10 US disclosed
US-4479782-A Visible light-cured orthodontic adhesive SCIENTIFIC PHARMACEUTICALS, INC. (US) 1984-10-30 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 (4 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-20250041197-A1 OIL-GELLING AGENT AND COSMETIC ADH1A, H1-0, MMAB TDP1 3567/4885ALDH1A1 136/4885THRB 896/4885
US-20050053571-A1 Cosmetic composition AHR, TRPA1, H1-0 TDP1 1183/4885ALDH1A1 275/4885THRB 2848/4885
US-20240252417-A1 OIL GELLING AGENT AND COSMETIC REV1, H1-0, MMS19 TDP1 2616/4885ALDH1A1 230/4885THRB 1167/4885
US-20040091439-A1 Powder composition, a dispersion of powder in oil, and a cosmetic comprising the same SPECC1L, SIK2, PLIN3 TDP1 3703/4885ALDH1A1 3190/4885THRB 2220/4885

“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.