SCHEMBL6689529

SCHEMBL6689529

C=CC(=O)OCCCCCN

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.79
ALDH1A1 P00352 5/20 0.79
CYP3A4 P08684 2/20 0.79
HPGD P15428 1/20 0.59
TP53 P04637 3/20 0.54
HIF1A Q16665 3/20 0.54
HSD17B10 Q99714 1/20 0.54
THRB P10828 3/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1562683 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9585943 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9586578 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1561591 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22609061 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22609059 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1562751 1.00 TSHR (0.79) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL21496309 0.98 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL28829821 0.98 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL111189 0.98 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040144657-A1 Process for the surface-immobililzation of anti-microbial polymers by metal deposition DEGUSSA AG (DE) 2004-07-29 US claimed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US claimed
US-12180136-B2 Organic amine collection method ASAHI KASEL KABUSHIKI KAISHA (JP) 2024-12-31 US disclosed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
EP-4431491-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
US-20230139979-A1 ORGANIC AMINE COLLECTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-11578030-B2 Organic amine collection method ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-02-14 US disclosed
EP-0704509-B1 Pressure-sensitive adhesive composition and pressure-sensitive adhesive sheets using the composition NITTO DENKO CORP (JP) 1998-12-16 EP disclosed
EP-0636064-A4 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE. SOANE TECHNOLOGIES INC (US) 1998-07-01 EP disclosed
US-5667735-A ACRYLATED RESIN FILM, ABRASION RESISTANCE 2C OPTICS, INC. (US) 1997-09-16 US disclosed
US-5604035-A COPOLYMER OF (METH)ACRYLIC ACID ALKYL ESTER AND (METH)ACRYLIC ALKYL ESTER HAVING CARBOXYL GROUP OR HYDROXYL GROUP AT TERMINAL END OF SIDE CHAIN NITTO DENKO CORPORATION (JP) 1997-02-18 US disclosed
EP-0704509-A1 Pressure-sensitive adhesive composition and pressure-sensitive adhesive sheets using the composition NITTO DENKO CORPORATION (JP) 1996-04-03 EP disclosed
EP-0636064-A1 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE SOANE TECHNOLOGIES INC. (US) 1995-02-01 EP disclosed
WO-1993021010-A1 LENSES WITH HIGH IMPACT RESISTANCE AND HIGH SCRATCH RESISTANCE SOANE TECHNOLOGIES, INC. (US) 1993-10-28 WO disclosed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US disclosed
US-4133813-A Cyclic nitrile carbonate-containing compounds ATLANTIC RICHFIELD COMPANY (US) 1979-01-09 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-20230139979-A1 ORGANIC AMINE COLLECTION METHOD H1-0, F12, C1S TSHR 1695/4885ALDH1A1 1007/4885CYP3A4 831/4885
US-11578030-B2 Organic amine collection method H1-0, C1S, NGLY1 TSHR 1619/4885ALDH1A1 1315/4885CYP3A4 1053/4885
US-12180136-B2 Organic amine collection method H1-0, F12, C1S TSHR 1695/4885ALDH1A1 1007/4885CYP3A4 831/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 TSHR 4594/4885ALDH1A1 630/4885CYP3A4 182/4885

“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.