SCHEMBL291637

SCHEMBL291637

[CH2]OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL77922 0.84 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL291299 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3157228 0.81 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL18033994 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8723683 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL23091898 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL261866 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL22590899 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12006800 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL1520430 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006041-A1 PRIMER, APPARATUS FOR PRODUCING DOUBLE-STRANDED DNA USING SAME, AND METHOD FOR PRODUCING DOUBLE-STRANDED DNA Japan Science and Technology Agency (JP) 2022-06-01 EP claimed
CN-114174509-A Primer, double-stranded DNA production apparatus using the same, and double-stranded DNA production method 国立研究开发法人科学技术振兴机构 2022-03-11 CN claimed
US-11046663-B2 Entecavir intermediate, synthetic method thereof and synthetic method for entecavir LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) 2021-06-29 US claimed
WO-2021020561-A1 PRIMER, APPARATUS FOR PRODUCING DOUBLE-STRANDED DNA USING SAME, AND METHOD FOR PRODUCING DOUBLE-STRANDED DNA 国立研究開発法人科学技術振興機構 2021-02-04 WO claimed
CN-109705063-B Entecavir intermediate and synthetic method thereof, and synthetic method of entecavir 广州市朗启医药科技有限责任公司 2021-01-01 CN claimed
US-20200255390-A1 ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR LAUNCH-PHARMA TECHNOLOGIES, LTD. (CN) 2020-08-13 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 US claimed
EP-2528923-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-05 EP claimed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US claimed
WO-2011092687-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA HK LIMITED (CN) 2011-08-04 WO claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO 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 (5 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-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 ALDH1A1 1929/4885TSHR 72/4885HTT 4605/4885
US-20200255390-A1 ENTECAVIR INTERMEDIATE, SYNTHETIC METHOD THEREOF AND SYNTHETIC METHOD FOR ENTECAVIR ENTPD5, SAMHD1, ENTPD8 ALDH1A1 1391/4885TSHR 4374/4885HTT 3845/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885TSHR 3358/4885HTT 453/4885
US-11046663-B2 Entecavir intermediate, synthetic method thereof and synthetic method for entecavir ENTPD5, SAMHD1, ENTPD8 ALDH1A1 1391/4885TSHR 4374/4885HTT 3845/4885
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES CYP3A43, CYP3A4, DHPS ALDH1A1 572/4885TSHR 4101/4885HTT 2799/4885

“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.