SCHEMBL6680911

SCHEMBL6680911

CC(C)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.47
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28123482 0.86 POLB (0.54) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL10652363 0.86 SLC6A2 (0.54) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL2064880 0.83 ALDH1A1 (0.58) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL3202573 0.82 ALDH1A1 (0.72) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4658040 0.82 POLB (0.53) POLBCYP2C19ALDH1A1TSHRMEN1
SCHEMBL4656909 0.82 ALDH1A1 (0.57) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL4656747 0.80 POLB (0.52) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL11364942 0.79 ALDH1A1 (0.53) POLBCYP2C19ALDH1A1TSHRHPGD
SCHEMBL30096036 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL681694 0.79 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0824099-B1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS INC (JP) 2001-11-07 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 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 (2 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 POLB 1195/4885CYP2C19 81/4885ALDH1A1 313/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 POLB 964/4885CYP2C19 249/4885ALDH1A1 2041/4885

“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.