SCHEMBL4277010

SCHEMBL4277010

COC(=O)CCc1cc(C(=O)c2ccc(OCC(C)C)cc2O)ccc1OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.61
FOS P01100 2/20 0.61
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
HPGD P15428 2/20 0.40
UGT1A1 P22309 1/20 0.39
UGT1A3 P35503 1/20 0.39
UGT1A8 Q9HAW9 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL4284195 0.93 FOS (0.64) JUNFOSALDH1A1HIF1AHTT
SCHEMBL2954291 0.90 JUN (0.50) JUNFOSALDH1A1UGT1A1UGT1A3
SCHEMBL4279253 0.90 FOS (0.52) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL4279563 0.90 JUN (0.76) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL4284473 0.88 FOS (0.52) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL4284477 0.88 FOS (0.52) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL4280457 0.85 FOS (0.60) JUNFOSALDH1A1HIF1AHTT
SCHEMBL2959661 0.84 FOS (0.53) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL2959153 0.84 JUN (0.54) JUNFOSALDH1A1HIF1AHPGD
SCHEMBL2954382 0.84 JUN (0.43) JUNFOSALDH1A1HPGDUGT1A1

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
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
CN-101284865-A Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-10-15 CN disclosed
CN-100378063-C Novel compound and medical use thereof TOYAMA CHEMICAL CO LTD (JP) 2008-04-02 CN disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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 (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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 JUN 20/4885FOS 63/4885ALDH1A1 2031/4885

“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.