SCHEMBL5539466

SCHEMBL5539466

[CH2]CCc1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CALM1 P0DP23 2/20 0.50
CHKA P35790 3/20 0.47
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
APP P05067 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL7494593 0.86 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4405018 0.85 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7071417 0.83 CHKA (0.53) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7075274 0.83 CHKA (0.53) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL5741268 0.83 CHKA (0.53) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7072445 0.83 CHKA (0.53) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL696310 0.80 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL6310153 0.80 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL2745550 0.79 GFER (0.42) ALDH1A1TDP1ALOX15HSD17B10HRH3
SCHEMBL171763 0.78 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769493-A Process for producing tetrafluorophthalic acid SDS BIOTECH K.K. (JP) 1988-09-06 US claimed
EP-0259663-A1 Process for producing tetrafluorophihalic acid SDS Biotech K.K. (JP) 1988-03-16 EP claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
CN-1278816-A 5, 11-dihydrodibenzo [ b, e ] [1,4] oxazepine * derivatives and pharmaceutical compositions containing the same AJINOMOTO KK (JP) 2001-01-03 CN disclosed
EP-0435503-B1 Improvements in or relating to gylcopeptide derivatives LILLY CO ELI (US) 1999-05-06 EP disclosed
US-5591714-A TREATING VANCOMYCIN RESISTANT ENTEROCOCCUS INFECTIONS WITH GLYCOPEPTIDE ANTIBIOTIC ELI LILLY AND COMPANY (US) 1997-01-07 US disclosed
EP-0435503-A1 Improvements in or relating to gylcopeptide derivatives ELI LILLY AND COMPANY (US) 1991-07-03 EP disclosed
US-4769493-A Process for producing tetrafluorophthalic acid SDS BIOTECH K.K. (JP) 1988-09-06 US disclosed
EP-0259663-A1 Process for producing tetrafluorophihalic acid SDS Biotech K.K. (JP) 1988-03-16 EP 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 ALDH1A1 2227/4885TSHR 3419/4885CYP3A4 63/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885TSHR 3220/4885CYP3A4 1070/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885TSHR 3357/4885CYP3A4 1193/4885

“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.