SCHEMBL5351618

SCHEMBL5351618

CCCCCCCCN1CN(CCCCCCCC)CN(CCCCCCCC)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.54
GNAO1 P09471 6/20 0.54
GNAI1 P63096 6/20 0.54
GUSB P08236 2/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GBA1 P04062 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL28953723 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL11059811 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL5352409 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL4315182 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL6382988 1.00 GNAI3 (0.54) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL1073381 0.97 GNAO1 (0.52) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL3627046 0.97 GNAO1 (0.52) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL4796729 0.97 GNAI3 (0.50) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL11825391 0.97 GNAI3 (0.50) GNAI3GNAO1GNAI1GUSBEBP
Hydrochloric Acid SCHEMBL1072740 0.95 GNAI3 (0.50) GNAI3GNAO1GNAI1GUSBEBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100107476-A1 Compositions and Methods Including Hexahydrotriazines Useful as Direct Injection Fuel Additives AFTON CHEMICAL CORPORATION (US) 2010-05-06 US disclosed
US-20100107476-A1 Compositions and Methods Including Hexahydrotriazines Useful as Direct Injection Fuel Additives AFTON CHEMICAL CORPORATION (US) 2010-05-06 US disclosed
US-7214842-B2 Method for oligomerizing olefins BASF AKTIENGESELLSCHAFT (DE) 2007-05-08 US disclosed
US-20050165266-A1 olefin is brought into contact with a catalyst system comprising at least one transition metal complex with a polydentate complexing ligand and an alkylaluminoxane; transition metal complex is added continuously or in portions during the oligomerization. BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-20050119514-A1 Oligomerization of olefins comprising at least three carbon atoms BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-6887958-B1 Method for polymerizing olefins BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-6844290-B1 Oligomerization catalyst BASF AKTIENGESELLSCHAFT (DE) 2005-01-18 US disclosed
EP-1171483-B1 METHOD FOR POLYMERISING OLEFINS BASF AG (DE) 2004-08-25 EP disclosed
EP-1171445-B1 OLIGOMERISATION CATALYST BASF AG (DE) 2004-01-21 EP disclosed
EP-0620266-A2 Removal of H2S from a hydrocarbon liquid EXXON CHEMICAL PATENTS INC. (US) 1994-10-19 EP disclosed
US-5354453-A Removal of H2 S hydrocarbon liquid EXXON CHEMICAL PATENTS INC. (US) 1994-10-11 US disclosed
EP-0162938-B1 USE OF ISOCYANATE OR ISOTHIOCYANATE POLYMERS FOR MAKING MICROCAPSULES Schmidt, Joachim, Dr.-Med. (DE) 1989-11-02 EP disclosed
EP-0162938-A1 Use of isocyanate or isothiocyanate polymers for making microcapsules Schmidt, Joachim, Dr.-Med. (DE) 1985-12-04 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 (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-20050119514-A1 Oligomerization of olefins comprising at least three carbon atoms OXER1, OSBP, COG7 GNAI3 2518/4885GNAO1 1540/4885GNAI1 2242/4885
US-20050165266-A1 olefin is brought into contact with a catalyst system comprising at least one transition metal complex with a polydentate complexing ligand and an alkylaluminoxane; transition metal complex is added continuously or in portions during the oligomerization. ALOX12, ALOX15B, ALOX15 GNAI3 3639/4885GNAO1 1971/4885GNAI1 3405/4885

“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.