SCHEMBL13612580

SCHEMBL13612580

COc1ccc(C(CC(=O)O)C[N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
PRSS3 P35030 1/20 0.45

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
SCHEMBL3548995 0.92 SMPD1 (0.49) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13439288 0.86 KMT2A (0.49) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13439291 0.85 SMPD1 (0.47) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3543357 0.82 MAPT (0.39) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL4125403 0.82 ALDH1A1 (0.60) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1661029 0.80 ALDH1A1 (0.54) ALDH1A1CYP2C19POLBSMN1; SMN2LMNA
SCHEMBL2995618 0.79 SMN1; SMN2 (0.62) SMPD1HDAC1HDAC8HDAC6POLB
SCHEMBL5429879 0.79 SMPD1 (0.47) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL5524550 0.77 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL5531247 0.77 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAHTT

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-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7235579-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-06-26 US 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-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMPD1 33/4885HDAC1 200/4885HDAC8 571/4885

“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.