SCHEMBL346865

SCHEMBL346865

CCCCCCCCOc1cccc2c1sc1c(OCCCCCCCC)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
HTR1B P28222 3/20 0.44
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL12458524 0.92 MCHR1 (0.42) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL27862393 0.89 MEN1 (0.44) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL2917038 0.83 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL6938193 0.83 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL347409 0.83 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL30998131 0.81 MAPT (0.44) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL30998122 0.81 MAPT (0.44) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL30998130 0.81 MAPT (0.44) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL30998128 0.81 MAPT (0.44) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL3165489 0.79 NR5A1 (0.42) MCHR1MEN1KMT2ANR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222426-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 US disclosed
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
US-7842941-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 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-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 US disclosed
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 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
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 US disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 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 (5 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 MCHR1 3999/4885MEN1 4081/4885KMT2A 674/4885
US-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 MCHR1 729/4885MEN1 1931/4885KMT2A 1434/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 MCHR1 717/4885MEN1 2114/4885KMT2A 1509/4885
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 MCHR1 3254/4885MEN1 2971/4885KMT2A 2715/4885
US-20120016147-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER PAH, MAOA, AHR MCHR1 4102/4885MEN1 4122/4885KMT2A 715/4885

“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.