SCHEMBL5703370

SCHEMBL5703370

CCN(C1CCCCCCC1)C1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.50
ADH1C P00326 4/20 0.50
PHGDH O43175 2/20 0.37
SHBG P04278 1/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADH1B P00325 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5703310 1.00 ADH1A (0.50) ADH1AADH1CPHGDHSHBGCYP1A2
SCHEMBL28872600 1.00 ADH1A (0.50) ADH1AADH1CPHGDHSHBGCYP1A2
SCHEMBL23038 1.00 ADH1A (0.50) ADH1AADH1CPHGDHSHBGCYP1A2
Bromide SCHEMBL11846706 0.97 ADH1A (0.48) ADH1AADH1CPHGDHSHBGCYP1A2
Hydrochloric Acid SCHEMBL2140609 0.97 ADH1A (0.48) ADH1AADH1CPHGDHSHBGCYP1A2
SCHEMBL20160972 0.97 ADH1A (0.48) ADH1AADH1CPHGDHSHBGCYP1A2
SCHEMBL516222 0.97 ADH1A (0.46) ADH1AADH1CPHGDHSHBGCYP1A2
SCHEMBL2066596 0.94 ADH1A (0.42) ADH1AADH1CCYP1A2ALDH1A1CYP2D6
SCHEMBL6292103 0.86 ALDH1A1 (0.52) ADH1AADH1CSHBGCYP1A2ALDH1A1
SCHEMBL14175038 0.85 ADH1A (0.39) ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US disclosed
EP-1250363-B1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-08-30 EP disclosed
US-7034173-B2 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-04-25 US disclosed
EP-1290002-B1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-01-21 EP disclosed
US-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-07-31 US disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 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 (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-20030144434-A1 Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins CBR1, COX6C, CBR3 ADH1A 165/4885ADH1C 20/4885PHGDH 2095/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 ADH1A 523/4885ADH1C 107/4885PHGDH 2798/4885

“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.