SCHEMBL125272

SCHEMBL125272

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 1.00
ALDH1A1 P00352 1/20 0.93
TP53 P04637 1/20 0.93
CYP3A4 P08684 1/20 0.93
ALOX15 P16050 1/20 0.93
TSHR P16473 1/20 0.93
ALOX12 P18054 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.93
HIF1A Q16665 1/20 0.93
HSD17B10 Q99714 1/20 0.93
SLC22A2 O15244 1/20 0.92
DNM1 Q05193 6/20 0.81
HTT P42858 1/20 0.65

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
SCHEMBL5296604 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3219205 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5306145 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296135 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2872711 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5291412 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5287942 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296028 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5293588 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL22806629 1.00 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225543-B2 Softening thermoplastic polyurethanes using ionomer technology THE UNIVERSITY OF AKRON (US) 2022-01-18 US claimed
US-11041039-B2 Softening thermoplastic polyurethanes using ionomer technology COVESTRO LLC (US) 2021-06-22 US claimed
US-20190217159-A1 GOLF BALL COMPOSITIONS COMPRISING THERMOPLASTIC POLYURETHANE IONOMERS ACUSHNET COMPANY (US) 2019-07-18 US claimed
US-20190211131-A1 SOFTENING THERMOPLASTIC POLYURETHANES USING IONOMER TECHNOLOGY LLC COVESTRO (US) 2019-07-11 US claimed
US-20190185609-A1 SOFTENING THERMOPLASTIC POLYURETHANES USING IONOMER TECHNOLOGY UNIV AKRON (US) 2019-06-20 US claimed
US-10245470-B1 Golf ball compositions comprising thermoplastic polyurethane ionomers ACUSHNET COMPANY (US) 2019-04-02 US claimed
US-9983162-B2 Method and device for detection of bioavailable drug concentration THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-05-29 US claimed
US-20160347900-A1 SOFTENING THERMOPLASTIC POLYURETHANES USING IONOMER TECHNOLOGY THE UNIVERSITY OF AKRON 2016-12-01 US claimed
EP-1825913-B1 New catalyst systems and their application for metathesis reactions LANXESS DEUTSCHLAND GMBH (DE) 2016-08-17 EP claimed
US-20150119848-A1 METHOD AND DEVICE FOR DETECTION OF BIOAVAILABLE DRUG CONCENTRATION THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2015-04-30 US claimed
US-20110227047-A1 ORGANIC PHOTOELECTRIC SEMICONDUCTOR DEVICE AND METHOD FOR FABRICATING THE SAME NATIONAL CHENG KUNG UNIVERSITY (TW) 2011-09-22 US claimed
US-20110077360-A1 PROCESS FOR REACTING CHEMICAL COMPOUNDS IN THE PRESENCE OF CATALYST SYSTEMS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-31 US claimed
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems LANXESS DEUTSCHLAND GMBH (DE) 2007-09-06 US claimed
EP-1825913-A1 New catalyst systems and their application for metathesis reactions Lanxess Deutschland GmbH & Co.KG (DE) 2007-08-29 EP claimed
EP-1435369-B1 composition for preparing porous dielectric films SAMSUNG ELECTRONICS CO LTD (KR) 2007-02-07 EP claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0615857-B1 Recording sheets containing monoammonium compounds XEROX CORP (US) 1998-11-11 EP claimed
US-5739230-A CURABLE THROUGH A MICHAEL REACTION BETWEEN A COMPONENT HAVING A PLURALITY OF ALPHA,BETA-UNSATURATED CARBONYL GROUPS AND A COMPONENT HAVING A PLURALITY OF ACTIVATED METHYLENE GROUPS NIPPON PAINT CO., LTD. (JP) 1998-04-14 US claimed
EP-0300364-B1 CHLORIDE ION-SELECTIVE ELECTRODE HITACHI, LTD. (JP) 1992-09-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems NBAS, NNMT, CAT SLC22A1 4788/4885ALDH1A1 2504/4885TP53 2188/4885

“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.