SCHEMBL998698

SCHEMBL998698

CSc1ccc(C(=O)C2C(=O)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.42
DTYMK P23919 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL19295182 0.81 HPD (0.62) HPDDTYMKMAPTMEN1KMT2A
SCHEMBL8693826 0.81 SMN1; SMN2 (0.46) HPDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL999603 0.81 HPD (0.42) HPDALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL998546 0.77 HPD (0.39) HPDALDH1A1MAPTMEN1KMT2A
SCHEMBL6493412 0.73 DTYMK (0.57) DTYMKTRPV1ALDH1A1MAPTMEN1
SCHEMBL8700816 0.73 MAPT (0.43) HPDALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL7167920 0.72 MAPT (0.44) DTYMKTRPV1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8492872 0.71 DHODH (0.33) HPDDTYMKTRPV1ALDH1A1MAPT
SCHEMBL997023 0.71 HPD (0.36) HPDDTYMKTRPV1ALDH1A1SMN1; SMN2
SCHEMBL6493349 0.70 SIRT6 (0.44) DTYMKTRPV1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614606-B1 Herbicidal compositions BASF AG (DE) 2003-09-10 EP claimed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US claimed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US claimed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP claimed
US-20170035048-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS BIO-GENE TECH LTD (AU) 2017-02-09 US disclosed
US-9474270-B2 Methods and compositions for controlling pests Bioprosepect Limited (AU) 2016-10-25 US disclosed
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2014-11-13 US disclosed
US-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-21 US disclosed
US-8652464-B2 Method of treatment using nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-18 US disclosed
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER ALKERMES PHARMA IRELAND LIMITED (IE) 2013-08-29 US disclosed
US-8323641-B2 Nanoparticulate compositions having lysozyme as a surface stabilizer ALKERMES PHARMA IRELAND LIMITED (IE) 2012-12-04 US disclosed
US-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS UNIVERSITY OF WESTERN SYDNEY (AU) 2012-07-19 US disclosed
US-5696116-A TREATING DISORDERS ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. (US) 1997-12-09 US disclosed
US-5686387-A HERBICIDE POTENTIATORS BASF AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed
US-5681793-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US disclosed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 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 (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-20120184625-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP HPD 805/4885DTYMK 636/4885TRPV1 698/4885
US-20140336269-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, MAVS, JUP HPD 805/4885DTYMK 636/4885TRPV1 698/4885
US-20170035048-A1 METHODS AND COMPOSITIONS FOR CONTROLLING PESTS CYP51A1, JUP, COX15 HPD 582/4885DTYMK 517/4885TRPV1 993/4885
US-20140234225-A1 METHOD OF TREATMENT USING NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, LIPA HPD 1827/4885DTYMK 2481/4885TRPV1 4051/4885
US-20130224123-A1 NANOPARTICULATE COMPOSITIONS HAVING LYSOZYME AS A SURFACE STABILIZER LPO, LCT, CTSA HPD 1972/4885DTYMK 1969/4885TRPV1 4000/4885

“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.