SCHEMBL5447243

SCHEMBL5447243

C=CCc1nc(CC=C)c(CC=C)c(CC=C)c1CC=C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
IMPDH2 P12268 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3856071 0.82 NPSR1 (0.30) NPSR1
SCHEMBL3856069 0.80 NPSR1 (0.31) NPSR1ALDH1A1
SCHEMBL5831274 0.78 ALDH1A1 (0.33) NPSR1IMPDH2ALDH1A1HPGD
SCHEMBL456738 0.70
SCHEMBL11812461 0.70 MAPK1 (0.40) NPSR1ALDH1A1HPGD
SCHEMBL9621343 0.69 XDH (0.31) NPSR1ALDH1A1HPGD
SCHEMBL5449547 0.67 IMPDH2 (0.31) IMPDH2
SCHEMBL17961910 0.67
SCHEMBL5819477 0.67
SCHEMBL5465101 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217814-B2 Methods of producing phosphitylated compounds HONEYWELL INTERNATIONAL INC. (US) 2007-05-15 US disclosed
US-20050124804-A1 Methods of producing phosphitylated compounds WERNER CHRISTIAN (DE) 2005-06-09 US disclosed
US-6894158-B2 Methods of producing phosphitylated compounds HONEYWELL INTERNATIONAL INC. (US) 2005-05-17 US disclosed
EP-1476407-A2 METHODS OF PRODUCING PHOSPHITYLATED COMPOUNDS Honeywell International Inc. (US) 2004-11-17 EP disclosed
US-20030232980-A1 Methods of producing phosphitylated compounds HONEYWELL INTERNATIONAL INC. 2003-12-18 US disclosed
WO-2003072586-A2 METHODS OF PRODUCING PHOSPHITYLATED COMPOUNDS HONEYWELL INTERNATIONAL INC. (US) 2003-09-04 WO disclosed
EP-0220204-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-05-06 EP disclosed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO disclosed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 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-20050124804-A1 Methods of producing phosphitylated compounds PHOSPHO1, INPPL1, PLCB3 NPSR1 1488/4885IMPDH2 2442/4885ALDH1A1 4296/4885
US-20030232980-A1 Methods of producing phosphitylated compounds PHOSPHO1, INPPL1, PLCG1 NPSR1 2746/4885IMPDH2 2609/4885ALDH1A1 3089/4885

“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.