SCHEMBL3872702

SCHEMBL3872702

CCCCCCCCOc1ccc([I+]c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
PLA2G4B P0C869 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
FAAH O00519 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RARB P10826 3/20 0.38
NR5A1 Q13285 1/20 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
SCHEMBL2437074 0.92 TSHR (0.44) LTA4HTSHRTP53PLA2G4BCA12
SCHEMBL2436260 0.90 TSHR (0.44) LTA4HTSHRTP53PLA2G4BCA12
Trifluoromethanesulfonic Acid SCHEMBL4619536 0.89 LTA4H (0.48) LTA4HTSHRTP53PLA2G4BCA12
Trifluoromethanesulfonic Acid SCHEMBL4618163 0.89 LTA4H (0.48) LTA4HTSHRTP53PLA2G4BCA12
Trifluoromethanesulfonic Acid SCHEMBL4606074 0.89 LTA4H (0.48) LTA4HTSHRTP53PLA2G4BCA12
SCHEMBL29745975 0.87 TSHR (0.47) LTA4HTSHRTP53PLA2G4BCA12
SCHEMBL2437076 0.87 NR5A1 (0.42) TSHRTP53PLA2G4BCA12CA1
SCHEMBL2436263 0.84 NR5A1 (0.42) TSHRTP53PLA2G4BCA12CA1
SCHEMBL2437727 0.84 TSHR (0.41) TSHRTP53PLA2G4BCA12CA1
Trifluoromethanesulfonic Acid SCHEMBL4618765 0.84 TSHR (0.48) LTA4HTSHRTP53PLA2G4BCA12

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-7601480-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-10-13 US disclosed
EP-1943287-A2 MOLDING COMPOSITION AND METHOD, AND MOLDED ARTICLE General Electric Company (US) 2008-07-16 EP disclosed
US-20080153032-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
US-7378455-B2 A curable epoxy resin , two latent cationic curing catalyst, a free radical-producng cocatalyst and inorganic filler of about 70-95 weight % based on the total weight; catalyst allows the use of increased filler loadingsto reduce moisture absorption and thermal expansion; encapsulating solid state device GENERAL ELECTRIC COMPANY (US) 2008-05-27 US disclosed
WO-2007005280-A2 MOLDING COMPOSITION AND METHOD, AND MOLDED ARTICLE GENERAL ELECTRIC COMPANY (US) 2007-01-11 WO disclosed
US-20070004819-A1 A curable epoxy resin , two latent cationic curing catalyst, a free radical-producng cocatalyst and inorganic filler of about 70-95 weight % based on the total weight; catalyst allows the use of increased filler loadingsto reduce moisture absorption and thermal expansion; encapsulating solid state device CITIBANK, N.A., AS COLLATERAL AGENT 2007-01-04 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 (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-20080153032-A1 Photoactive Compounds SUN2, CRY2, SCO2 LTA4H 1170/4885TSHR 4095/4885TP53 4141/4885

“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.