SCHEMBL50027

SCHEMBL50027

CC(C)(C)ONc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CTSD P07339 1/20 0.39
MAPK1 P28482 3/20 0.38
PTGS2 P35354 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
IDO1 P14902 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
Hydrochloric Acid SCHEMBL28777083 0.98 TSHR (0.40) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL18902603 0.81 TSHR (0.39) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL15184059 0.78 NPSR1 (0.37) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL29074516 0.76 NR4A1 (0.47) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL941751 0.76 ALDH1A1 (0.40) TSHRALDH1A1HSD17B10MAPK1PTGS2
SCHEMBL742856 0.75 ALDH1A1 (0.39) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL3838039 0.74 ALDH1A1 (0.45) TSHRALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL16729686 0.73 NPC1 (0.51) ALDH1A1MAPTGAAMEN1MITF
SCHEMBL633340 0.73 CFTR (0.34) TSHRALDH1A1TDP1HSD17B10CTSD
SCHEMBL4166448 0.72 CA2 (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861559-B1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2020-09-16 EP disclosed
US-10259784-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2019-04-16 US disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2017-11-30 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-9732034-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2017-08-15 US disclosed
US-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIVERSITY OF EAST ANGLIA (GB) 2017-06-01 US disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
EP-2356517-B1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORP (JP) 2017-01-25 EP disclosed
US-9090527-B2 Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 EP disclosed
US-5670504-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO. INC. (US) 1997-09-23 US disclosed
WO-1996025936-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1996-08-29 WO disclosed
US-4740610-A Process for the preparation of N,o-substituted mono- and/or polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4695645-A Process for the preparation of N,o-substituted mono-and/or polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
US-4552586-A Certain 2-pyridyloxyacetanilides and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-11-12 US disclosed
EP-0078005-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY PYROLYSIS OF URETHANES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
US-4530796-A Vapor phase pyrolysis BASF AKTIENGESELLSCHAFT (DE) 1985-07-23 US disclosed
EP-0133274-A1 Process for the preparation of N,0-substituted mono- and/or polyurethanes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
US-4423247-A AMINOALKYLATION, NONCATALYTIC REACTION BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 TSHR 1183/4885ALDH1A1 1321/4885TDP1 1578/4885
US-10259784-B2 Method and catalyst for synthesising aziridine ITPA, PPA1, PPIP5K2 TSHR 1511/4885ALDH1A1 2657/4885TDP1 2265/4885
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 TSHR 1511/4885ALDH1A1 2657/4885TDP1 2265/4885
US-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 TSHR 1503/4885ALDH1A1 2656/4885TDP1 2500/4885

“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.