SCHEMBL3815348

SCHEMBL3815348

CCCCC(C=CCN)CCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 5/20 0.33
OPRM1 P35372 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL516702 0.85
SCHEMBL31521555 0.76 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
Hydrochloric Acid SCHEMBL28898171 0.76 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL808616 0.74 MEN1 (0.50) ALDH1A1DNM1MEN1KMT2A
SCHEMBL31521568 0.74 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1DNM1MEN1
SCHEMBL31521559 0.74 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23924958 0.74 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL516461 0.74
SCHEMBL23924957 0.74 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1DNM1
SCHEMBL9062496 0.73 MEN1 (0.44) TSHRSMN1; SMN2ALDH1A1DNM1MEN1

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
EP-1296930-B1 METHOD FOR PRODUCING ALKYLAMINES BASF SE (DE) 2009-08-19 EP disclosed
US-7161039-B2 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2007-01-09 US disclosed
EP-1238964-B1 Process for preparing n-butylamines BASF AG (DE) 2006-10-18 EP disclosed
US-20050124832-A1 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
EP-1502912-A1 Process for preparing n-butylamines BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
EP-1502911-A1 Process for the preparation of n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
EP-1498408-A1 Process for preparing n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2005-01-19 EP disclosed
US-6576796-B1 Process for the preparation of alkylamines BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-6492558-B2 PREPARATION OF N-BUTYLAMINES FROM N-BUTENYLAMINES WHICH ARE ARE PREPARED BY REACTING 1,3-BUTADIENE IN THE FORM OF A 1,3-BUTADIENE-CONTAINING MIXTURE OBTAINED DURING THE CRACKING OF PETROLEUM FRACTIONS BASF AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20020169319-A1 Preparation of n-butylamines BASF AKTIENGESELLSCHAFT (DE) 2002-11-14 US disclosed
EP-1238964-A1 Process for preparing n-butylamines and n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 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 (1 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-20020169319-A1 Preparation of n-butylamines HNMT, PNMT, LIPG TSHR 2495/4885SMN1; SMN2 3096/4885ALDH1A1 1385/4885

“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.