SCHEMBL4277481

SCHEMBL4277481

CCOC(=O)COc1cc(C(=O)c2ccc(OCCC(C)C)cc2OCCC(C)C)ccc1OCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4289725 0.94 HPGD (0.44) HPGDALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4284432 0.87 HPGD (0.49) HPGDALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4284962 0.87 MAPK1 (0.50) ALDH1A1LMNAMAPK1KMT2APOLB
SCHEMBL4284204 0.83 POLB (0.52) ALDH1A1MAPK1KMT2ASMN1; SMN2POLB
SCHEMBL4289733 0.81 FOS (0.48) LMNAMAPK1KMT2ATP53SMN1; SMN2
SCHEMBL25306124 0.75 HPGD (0.79) HPGDALDH1A1LMNACYP1A2CYP3A4
SCHEMBL31006408 0.75 HPGD (0.79) HPGDALDH1A1LMNACYP1A2CYP3A4
SCHEMBL25829494 0.74 HPGD (0.73) HPGDALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4279733 0.73 FOS (0.54) HPGDALDH1A1LMNAMAPTKMT2A
SCHEMBL27718127 0.73 MAPK1 (0.42) HPGDALDH1A1LMNACYP1A2CYP2C19

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 3 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
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 HPGD 2556/4885ALDH1A1 2031/4885LMNA 4318/4885

“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.