SCHEMBL5948846

SCHEMBL5948846

CCCCC[CH]CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.42
TSHR P16473 4/20 0.40
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SPHK2 Q9NRA0 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL11852536 0.97 DNM1 (0.46) DNM1TSHRFAAHTRPV1THRB
SCHEMBL5948516 0.97 DNM1 (0.46) DNM1TSHRFAAHTRPV1THRB
SCHEMBL4344245 0.97 DNM1 (0.46) DNM1TSHRFAAHTRPV1THRB
SCHEMBL5948947 0.92
SCHEMBL5948694 0.80
SCHEMBL5949210 0.80 TSHR (0.37) DNM1TSHRFAAHTRPV1THRB
SCHEMBL5949263 0.78 TSHR (0.41) DNM1TSHRFAAHTRPV1THRB
SCHEMBL21144983 0.77 FAAH (0.50) FAAHTRPV1
SCHEMBL21144984 0.77 FAAH (0.50) FAAHTRPV1
SCHEMBL5948738 0.77 DNM1 (0.52) DNM1TSHRFAAHTRPV1THRB

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 5 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
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
US-6953829-B2 Catalyst system and the use thereof BASELL POLYOLEFINE GMBH (DE) 2005-10-11 US 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 DNM1 4094/4885TSHR 2182/4885FAAH 1250/4885
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 DNM1 2698/4885TSHR 3975/4885FAAH 3959/4885

“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.