SCHEMBL345720

SCHEMBL345720

CCCCCCCCOc1ccc2ccc3ccc(OCCCCCCCC)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
MTNR1A P48039 2/20 0.54
TSHR P16473 2/20 0.54
HTR1A P08908 5/20 0.51
HTR1D P28221 5/20 0.51
HTR1B P28222 5/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2A P28223 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL347957 0.94 CA12 (0.54) NR5A1MTNR1ATSHRHTR1AHTR1D
SCHEMBL16519477 0.90 CA12 (0.51) NR5A1MTNR1ATSHRHTR1AHTR1D
SCHEMBL10642885 0.90 NR5A1 (0.62) NR5A1TSHRTP53CA12CA1
SCHEMBL4945033 0.90 NR5A1 (0.62) NR5A1TSHRTP53CA12CA1
SCHEMBL347683 0.90 NR5A1 (0.62) NR5A1TSHRTP53CA12CA1
SCHEMBL12405274 0.89 MTNR1A (0.47) NR5A1MTNR1ATSHRHTR1AHTR1D
SCHEMBL12405286 0.89 MTNR1A (0.47) NR5A1MTNR1ATSHRHTR1AHTR1D
SCHEMBL8724311 0.87 NR5A1 (0.55) NR5A1MTNR1ATSHRHTR1AHTR1D
SCHEMBL30426140 0.86 NR5A1 (0.58) NR5A1TSHRTP53CA12CA1
SCHEMBL17018215 0.86 NR5A1 (0.58) NR5A1TSHRTP53MAPK1TDP1

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 NR5A1 1330/4885MTNR1A 3817/4885TSHR 3657/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR NR5A1 1291/4885MTNR1A 3864/4885TSHR 3727/4885

“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.