SCHEMBL348173

SCHEMBL348173

NCCCC=Cc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
NFKB1 P19838 2/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
JUN P05412 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CA2 P00918 7/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 6/20 0.42
CA9 Q16790 5/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.40
GUSB P08236 1/20 0.40
ECE2 P0DPD6 2/20 0.37

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
SCHEMBL8937726 0.93 TRPA1 (0.43) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL347703 0.89 TRPA1 (0.48) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL3417191 0.81 MAPT (0.46) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL3417189 0.81 MAPT (0.46) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL31186857 0.80 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL12425707 0.80 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL347781 0.80 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL7923703 0.80 CYSLTR2 (0.48) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL17666840 0.80 CYSLTR2 (0.48) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL1072895 0.79 CYSLTR2 (0.50) TRPA1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-8048982-B2 Method for producing aromatic compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-01 US disclosed
EP-2241548-A1 Vanadium di-nuclear complex Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
US-20090018309-A1 Method for Producing Aromatic Compound Polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 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-20090018309-A1 Method for Producing Aromatic Compound Polymer PAH, MAOA, AHR TRPA1 67/4885NFKB1 3078/4885CDK4 1242/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR TRPA1 65/4885NFKB1 2965/4885CDK4 1220/4885

“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.