SCHEMBL196858

SCHEMBL196858

CC(C)(C)OC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.68
PPARA Q07869 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM1A O60341 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 2/20 0.44
FABP2 P12104 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
ABCB11 O95342 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
HPGD P15428 1/20 0.43
CYP11B1 P15538 1/20 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
SCHEMBL4061370 0.90 ELANE (0.81) ELANEKMT2AMEN1MAPTKDM1A
SCHEMBL4059798 0.84 ELANE (0.72) ELANEKMT2AMEN1KDM1ACA2
SCHEMBL30080569 0.83 ELANE (0.66) ELANEKMT2AMEN1MAPTKDM1A
SCHEMBL7195555 0.82 ELANE (0.70) ELANEKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4057059 0.82 ELANE (0.70) ELANEKMT2AMEN1MAPTKDM1A
SCHEMBL4056333 0.81 ELANE (0.64) ELANEKMT2AMEN1MAPTCYP2D6
SCHEMBL56865 0.81 KMT2A (0.50) ELANEPPARAKMT2AMEN1CYP1A2
SCHEMBL1792031 0.81 ELANE (0.68) ELANEKMT2AMEN1CYP1A2KDM1A
SCHEMBL1457134 0.81 ELANE (0.68) ELANEKMT2AMEN1MAPTKDM1A
SCHEMBL4065322 0.81 ELANE (0.68) ELANEKMT2AMEN1MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 ELANE 4765/4885PPARA 3957/4885KMT2A 1269/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ELANE 4822/4885PPARA 4231/4885KMT2A 2407/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR ELANE 2914/4885PPARA 783/4885KMT2A 77/4885

“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.