SCHEMBL112966

SCHEMBL112966

C=C(C)C(=O)OCCCCCN

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 2/20 0.50
PAOX Q6QHF9 3/20 0.43
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.35
PLG P00747 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL718223 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1562267 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12200709 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9586892 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL31616810 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14097216 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL716692 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1562176 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9331676 1.00 TSHR (0.69) TSHRPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL11438451 0.98 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1

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 42 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-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
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
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN 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
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-3872062-B1 ORGANIC AMINE COLLECTION METHOD ASAHI CHEMICAL IND (JP) 2022-09-07 EP disclosed
EP-2377847-A1 Process for producing isocyanates 3M Innovative Properties Company (US) 2011-10-19 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
US-7524977-B2 Process for producing fluoroalkanesulfonamide derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2009-04-28 US disclosed
US-20080058538-A1 Process for producing fluoroalkanesulfonamide derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2008-03-06 US disclosed
US-7041714-B2 Dental adhesive TOKUYAMA CORPORATION (JP) 2006-05-09 US disclosed
EP-1459726-A1 ADHESIVES FOR DENTAL USE TOKUYAMA CORPORATION (JP) 2004-09-22 EP disclosed
US-20040144657-A1 Process for the surface-immobililzation of anti-microbial polymers by metal deposition DEGUSSA AG (DE) 2004-07-29 US disclosed
US-20040077746-A1 Adhesives for dental use TOKUYAMA CORPORATION (JP) 2004-04-22 US disclosed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 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 (6 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-20040077746-A1 Adhesives for dental use ICAM1, CDH1, VCAM1 TSHR 3922/4885POLB 4097/4885APEX1 988/4885
US-20230139979-A1 ORGANIC AMINE COLLECTION METHOD H1-0, F12, C1S TSHR 1695/4885POLB 95/4885APEX1 920/4885
US-11578030-B2 Organic amine collection method H1-0, C1S, NGLY1 TSHR 1619/4885POLB 103/4885APEX1 1026/4885
US-20080058538-A1 Process for producing fluoroalkanesulfonamide derivatives AFF1, AFF2, RER1 TSHR 383/4885POLB 828/4885APEX1 1139/4885
US-12180136-B2 Organic amine collection method H1-0, F12, C1S TSHR 1695/4885POLB 95/4885APEX1 920/4885
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 4594/4885POLB 1301/4885APEX1 730/4885

“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.