SCHEMBL3815340

SCHEMBL3815340

CC/C=C/N(CCCC)CCCC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3815344 1.00 DNM1 (0.31) DNM1ALDH1A1ALDH2CA12CA1
Hydrochloric Acid SCHEMBL22771741 0.97 DNM1 (0.33) DNM1
Hydrochloric Acid SCHEMBL22771743 0.97 DNM1 (0.33) DNM1
SCHEMBL20194379 0.93 DNM1 (0.42) DNM1CA12CA1CA9TSHR
SCHEMBL21148311 0.92 DNM1 (0.40) DNM1CA12CA1CA9TSHR
Hydrochloric Acid SCHEMBL22771750 0.90 DNM1 (0.42) DNM1CA12CA1CA9TSHR
Hydrochloric Acid SCHEMBL22771748 0.90 DNM1 (0.42) DNM1CA12CA1CA9TSHR
SCHEMBL21741896 0.90 DNM1 (0.44) DNM1CA12CA1CA9TSHR
SCHEMBL5403187 0.90 CA12 (0.30) CA12CA1CA9
SCHEMBL5403190 0.90 CA12 (0.30) CA12CA1CA9

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 18 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
EP-1682475-A1 METHOD FOR PRODUCING N-BUTYRALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 2006-07-26 EP disclosed
US-20050124832-A1 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
WO-2005042457-A1 METHOD FOR PRODUCING N-BUTYRALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO 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
EP-1448510-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2004-08-25 EP disclosed
US-6576796-B1 Process for the preparation of alkylamines BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
WO-2003042149-A1 METHOD FOR PRODUCTION OF N-BUTYRALDEHYDE AND N-BUTANOL FROM 1,3-BUTADIENE-CONTAINING HYDROCARBON STREAMS BASF AKTIENGESELLSCHAFT (DE) 2003-05-22 WO disclosed
WO-2003042157-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2003-05-22 WO disclosed
EP-1296930-A2 METHOD FOR PRODUCING ALKYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2003-04-02 EP 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
WO-2002000597-A2 METHOD FOR PRODUCING ALKYLAMINES BASF AKTIENGESELLSCHAFT (DE) 2002-01-03 WO 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 DNM1 4213/4885ALDH1A1 1385/4885ALDH2 1267/4885

“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.