SCHEMBL4420122

SCHEMBL4420122

CCOC(=O)CCc1cc(C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 1/20 0.49
▸ PLA2G4B P0C869 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAOB P27338 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ HTT P42858 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
SCHEMBL2548457 0.80 MAPT (0.51) MAPTLMNAPOLBSMN1; SMN2MAOB
SCHEMBL2958785 0.76 FOS (0.58) MAPTALDH1A1KMT2AHTT
SCHEMBL13991528 0.76 CYP4F2 (0.64) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4285044 0.74 TSHR (0.54) ALDH1A1KMT2ARAB9A
SCHEMBL4277965 0.74 LTB4R (0.50) POLBSMN1; SMN2
SCHEMBL2537078 0.74 MRGPRX4 (0.53) —
SCHEMBL8322249 0.74 PTGER1 (0.67) MAPTLMNAPLA2G4BALDH1A1KMT2A
SCHEMBL2538767 0.73 PTGER4 (0.54) LMNA
SCHEMBL10636135 0.72 HTT (0.52) MAPTPLA2G4BMAOBALDH1A1NPC1
SCHEMBL542660 0.71 PTGER1 (0.56) MAPTPOLBSMN1; SMN2KMT2ANPC1

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 MAPT 3392/4885LMNA 4318/4885POLB 3642/4885

“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.

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