SCHEMBL347830

SCHEMBL347830

CCCCCCCCOc1ccc2c(c1)sc1cc(OCCCCCCCC)ccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.46
LTA4H P09960 3/20 0.46
PLA2G4B P0C869 1/20 0.45
HTR1A P08908 5/20 0.45
HTR1D P28221 5/20 0.45
HTR1B P28222 5/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL14164769 0.91 LTA4H (0.49) NR5A1TSHRLTA4HMAPT
SCHEMBL14164745 0.89 MAPT (0.43) NR5A1TSHRLTA4HHTR1AHTR1D
SCHEMBL347150 0.86 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL13338859 0.84 KDM4E (0.51) KDM4EMAPTTDP1
SCHEMBL18544463 0.84 NR5A1 (0.55) NR5A1TSHRTP53LTA4HMAPT
SCHEMBL17037074 0.84 NR5A1 (0.43) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL12485019 0.82 NR5A1 (0.58) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL12483695 0.82 NR5A1 (0.58) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL1797487 0.81 KMT2A (0.48) HTR1AHTR1DHTR1BCYP1A2CYP2D6
SCHEMBL1796854 0.81 ATP4A (0.50) KDM4E

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-2241547-A1 Method for producing aromatic compound polymer Sumitomo Chemical Company, Limited (JP) 2010-10-20 EP disclosed
EP-2241548-A1 Vanadium di-nuclear complex 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 NR5A1 1330/4885TSHR 3657/4885TP53 2202/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR NR5A1 1291/4885TSHR 3727/4885TP53 2132/4885

“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.