SCHEMBL198313

SCHEMBL198313

O=C(OC1CCCCC1)[C@@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
CYP2D6 P10635 5/20 0.62
CYP2C9 P11712 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CHRM2 P08172 4/20 0.61
CHRM1 P11229 4/20 0.61
CHRM3 P20309 4/20 0.61
CHRM4 P08173 3/20 0.61
CHRM5 P08912 3/20 0.61
BLM P54132 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
THRB P10828 2/20 0.50
PMP22 Q01453 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7274518 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL198083 1.00 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7268076 0.98 LMNA (0.61) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL3916189 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL2062723 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL415802 0.98 LMNA (0.64) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL8987487 0.97 LMNA (0.59) LMNACYP2D6CYP2C9HSD17B10CHRM2
Iodide SCHEMBL16713395 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
Hydrochloric Acid SCHEMBL7269400 0.97 LMNA (0.62) LMNACYP2D6CYP2C9HSD17B10CHRM2
SCHEMBL19105458 0.85 CYP2D6 (0.51) LMNACYP2D6CYP2C9HSD17B10CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316409-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2013-11-28 US claimed
US-8501451-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2013-08-06 US claimed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2012-01-12 US claimed
US-8088613-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-03 US claimed
US-8034595-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-10-11 US claimed
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride VERENIUM CORPORATION (US) 2009-06-25 US claimed
US-7300775-B2 Methods for producing α-substituted carboxylic acids using nitrilases and strecker reagents VERENIUM CORPORATION (US) 2007-11-27 US claimed
EP-1242589-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2002-09-25 EP claimed
US-20020012974-A1 Genetic engineered nucleic acid promoter VERENIUM CORPORATION 2002-01-31 US claimed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 WO claimed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-6013830-A CHEMICAL INTERMEDIATES FOR OXYBUTYNIN, OXYPHENCYCLIMINE, OXYPHENONIUM BROMIDE, OXYPYRRONIUM BROMIDE, AND OXYSONIUM IODIDE, FOR WHICH CYCLOHEXYLPHENYLGLYCOLIC ACID (CHPGA) IS OF SPECIAL INTEREST; STEREOSELECTIVITY SEPRACOR INC. (US) 2000-01-11 US disclosed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US disclosed
US-5036107-A Treatment of neurogenic bladder disorders MARION MERRELL DOW INC. (US) 1991-07-30 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-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM ASNS, DNPEP, ASPH LMNA 2894/4885CYP2D6 692/4885CYP2C9 535/4885
US-20090162906-A1 Biocatalysts; mutant and/or chemically modified enzymes; stereoselectively hydrolyze an amino nitrile or cyanohydrin intermediate to produce the corresponding carboxylic acid; e.g. phenylglycinonitrile from benzaldehyde, potassium cyanide and ammonium chloride PAH, ASPH, CPN1 LMNA 1773/4885CYP2D6 935/4885CYP2C9 524/4885
US-20020012974-A1 Genetic engineered nucleic acid promoter RNGTT, ASPH, ALKBH3 LMNA 1933/4885CYP2D6 1936/4885CYP2C9 1461/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 LMNA 1395/4885CYP2D6 2258/4885CYP2C9 2684/4885

“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.