SCHEMBL499597

SCHEMBL499597

C=CC(=O)OCCCCCCCCCCCCCCCCCCN(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.59
CYP2D6 P10635 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL11674288 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL109001 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL500592 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL7921669 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL499684 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL610555 0.98 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL20822 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDCYP2D6
Hydrochloric Acid SCHEMBL11044788 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDCYP2D6
Chloromethane SCHEMBL2876432 0.90 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL11279409 0.88 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDCYP2D6

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 82 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
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
US-10995302-B2 Liquid acidic hard surface cleaning compositions having improved viscosity THE PROCTER & GAMBLE COMPANY (US) 2021-05-04 US disclosed
US-20210092949-A1 Residual Disinfectant Composition KIMBERLY-CLARK WORLDWIDE, INC. 2021-04-01 US disclosed
US-20050159321-A1 Disinfecting compositions containing a polymer complex of an organic acid RECKITT BENCKISER INC MORRIS CORPORATE CENTER IV (US) 2005-07-21 US disclosed
EP-1531671-A1 DISINFECTING COMPOSITIONS CONTAINING A POLYMER COMPLEX OF AN ORGANIC ACID Reckitt Benckiser Inc. (US) 2005-05-25 EP disclosed
EP-1442110-A1 HARD SURFACE CLEANING AND DISINFECTING COMPOSITIONS Reckitt Benckiser Inc. (US) 2004-08-04 EP disclosed
WO-2004016087-A1 DISINFECTING COMPOSITIONS CONTAINING A POLYMER COMPLEX OF AN ORGANIC ACID RECKITT BENCKISER INC. (US) 2004-02-26 WO disclosed
WO-2003038025-A1 HARD SURFACE CLEANING AND DISINFECTING COMPOSITIONS RECKITT BENCKISER INC (US) 2003-05-08 WO disclosed
US-5321110-A Thickeners for shampoo, hair conditioners ISP INVESTMENTS INC. (US) 1994-06-14 US disclosed
US-5045617-A Zwitterion terpolymers of a vinyl lactam, an amino alkyl acrylamide or acrylate, and a polymerizable carboxylic acid ISP INVESTMENTS INC. (US) 1991-09-03 US disclosed
US-3980769-A ANIONIC AND AMPHOTERIC SURFACTANTS L'OREAL (FR) 1976-09-14 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 (3 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-20210092949-A1 Residual Disinfectant Composition QARS1, EIF2AK2, POLL TSHR 2755/4885ALDH1A1 4167/4885CYP3A4 4354/4885
US-12096767-B2 Residual disinfectant composition QARS1, EIF2AK2, POLL TSHR 2755/4885ALDH1A1 4167/4885CYP3A4 4354/4885
US-20230277704-A1 Disinfectant Composition with Rapid Antiviral Efficacy EIF2AK2, APOBEC3A, APOBEC3C TSHR 2150/4885ALDH1A1 545/4885CYP3A4 2824/4885

“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.