SCHEMBL499702

SCHEMBL499702

C=C(C)C(=O)OC(CCCC)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL499655 0.95 TSHR (0.45) TSHRCA1FAAH
SCHEMBL499466 0.94 TSHR (0.47) TSHRCA2FAAH
SCHEMBL500170 0.94 TSHR (0.47) TSHRCA2FAAH
SCHEMBL499771 0.94 TSHR (0.47) TSHRCA2FAAH
SCHEMBL1252784 0.90 ALDH1A1 (0.39) TSHRTHRBALDH1A1
SCHEMBL500186 0.85 TSHR (0.43) TSHRCA2CA1THRBALDH1A1
SCHEMBL11416649 0.85 TSHR (0.35) TSHRTHRBALDH1A1
SCHEMBL11800802 0.83 TSHR (0.42) TSHRCA2CA1THRBALDH1A1
SCHEMBL11223662 0.83 TSHR (0.46) TSHRFAAH
SCHEMBL28679641 0.83 TSHR (0.46) TSHRCA2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321110-A Thickeners for shampoo, hair conditioners ISP INVESTMENTS INC. (US) 1994-06-14 US claimed
EP-0106193-A2 Liquid skin cleanser composition UNION CARBIDE CORPORATION (US) 1984-04-25 EP claimed
US-3954960-A Hair and similar cosmetic preparations containing a quaternized copolymer of vinyl pyrrolidone GAF CORPORATION (US) 1976-05-04 US claimed
EP-3347446-B1 A STABLE LAUNDRY OR CLEANING COMPOSITION, PROCESS FOR PREPARING THE SAME, AND METHOD OF USE ISP INVESTMENTS LLC (US) 2024-12-11 EP disclosed
US-12096767-B2 Residual disinfectant composition KIMBERLY-CLARK WORLDWIDE, INC. (US) 2024-09-24 US disclosed
US-20230277704-A1 Disinfectant Composition with Rapid Antiviral Efficacy KIMBERLY-CLARK WORLDWIDE, INC. 2023-09-07 US disclosed
EP-3328373-B1 DISINFECTANT COMPOSITION WITH RAPID ANTIVIRAL EFFICACY KIMBERLY CLARK CO (US) 2023-06-07 EP disclosed
EP-3569682-B1 LIQUID HARD SURFACE CLEANING COMPOSITIONS HAVING IMPROVED VISCOSITY PROCTER & GAMBLE (US) 2022-12-07 EP disclosed
WO-2022162221-A1 DETERGENT COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2022-08-04 WO disclosed
US-11384316-B2 Stable laundry cleaning composition and method comprising a polyAPTAC-containing polymer ISP INVESTMENTS LLC (US) 2022-07-12 US disclosed
CN-113943596-A Viscosity index improver and preparation method and application thereof 一汽解放汽车有限公司 2022-01-18 CN disclosed
US-4465802-A WITH WATER SOLUBLE CATIONIC POLYMER AND CATIONIC SURFACTANT UNION CARBIDE CORPORATION (US) 1984-08-14 US disclosed
US-4378445-A EXTERIOR FINISHES FOR AUTOMOBILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-29 US disclosed
US-4362528-A OXIDATION COLOR DYE,CATIONIC POLYMER TO IMPROVE FEEL,SHAMPOO WITH ANIONIC DETERGENT SOCIETE ANONYME DITE: L'OREAL (FR) 1982-12-07 US disclosed
US-4314807-A CATIONIC POLYMER, ANIONIC SURFACTANT SHAMPOO L'OREAL (FR) 1982-02-09 US disclosed
US-4255308-A A DISPERSION COMPRISING A BINDER OF A METHYL METHACRYLATE POLYMER, A DISPERSANT OF AN ACRYLIC TERPOLYMER, AND A GRAFT POLYMER OF THE TWO; FINISHES FOR CARS AND TRUCKS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-10 US disclosed
US-3980769-A ANIONIC AND AMPHOTERIC SURFACTANTS L'OREAL (FR) 1976-09-14 US disclosed
US-3958581-A Cosmetic composition containing a cationic polymer and divalent metal salt for strengthening the hair L'OREAL (FR) 1976-05-25 US disclosed
US-3954588-A Electrocoating process for depositing a corrosion retardant layer on a metal substrate and sequentially electrocoating a cationic film-forming polymer coating E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 US disclosed
US-3954960-A Hair and similar cosmetic preparations containing a quaternized copolymer of vinyl pyrrolidone GAF CORPORATION (US) 1976-05-04 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 (2 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-12096767-B2 Residual disinfectant composition QARS1, EIF2AK2, POLL TSHR 2755/4885CA2 3374/4885CA1 3818/4885
US-20230277704-A1 Disinfectant Composition with Rapid Antiviral Efficacy EIF2AK2, APOBEC3A, APOBEC3C TSHR 2150/4885CA2 1896/4885CA1 1993/4885

“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.