SCHEMBL3907799

SCHEMBL3907799

CC(C)(C)c1ccc(O)c(-c2ccccc2O)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.38
MAOA P21397 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 3/20 0.36
BCL2L1 Q07817 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL30359261 1.00 ALDH1A1 (0.48) ALDH1A1TDP1TSHRMAPTMAOA
SCHEMBL8750898 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL3898668 0.81 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTMAOA
SCHEMBL9235789 0.80 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMAPTHSD17B10
SCHEMBL3731454 0.79 ALDH1A1 (0.59) ALDH1A1TDP1TSHRMAPTMAOA
SCHEMBL29827780 0.79 ALDH1A1 (0.59) ALDH1A1TDP1TSHRMAPTMAOA
SCHEMBL4662726 0.79 ALDH1A1 (0.48) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL9235786 0.78 ALDH1A1 (0.57) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL7918767 0.77 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMAPTMAOA
SCHEMBL4055206 0.77 LMNA (0.36) ALDH1A1TDP1TSHRMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440960-B1 Method of producing 4,4-biphenol HONSHU CHEMICAL IND (JP) 2009-03-25 EP disclosed
US-6794548-B2 Method of producing 4,4′-biphenol HONSCHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-09-21 US disclosed
US-20040147790-A1 Method of producing 4,4'-biphenol HONSHU CHEMICAL INDUSTRY CO. LTD. (JP) 2004-07-29 US disclosed
EP-1440960-A1 Method of producing 4,4-biphenol Honshu Chemical Industry Co., Ltd. (JP) 2004-07-28 EP disclosed
US-6388044-B1 THERMOSETTING POLYETHER; CROSSLINKING BY HEATING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-14 US disclosed