SCHEMBL3000885

SCHEMBL3000885

COc1cc(C(N)CC(=O)O)ccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
GAA P10253 2/20 0.47
TNF P01375 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL2991798 0.90 ACHE (0.59) ACHEGAATNFALDH1A1SMN1; SMN2
SCHEMBL5720955 0.90 ACHE (0.59) ACHEGAATNFALDH1A1SMN1; SMN2
SCHEMBL30540379 0.90 ACHE (0.59) ACHEGAATNFALDH1A1SMN1; SMN2
SCHEMBL4671897 0.90 ACHE (0.59) ACHEGAATNFALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5742665 0.88 ACHE (0.57) ACHEGAATNFALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5905254 0.88 ACHE (0.57) ACHEGAATNFALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5743213 0.88 ACHE (0.57) ACHEGAATNFALDH1A1SMN1; SMN2
SCHEMBL3001132 0.88 TNF (0.47) ACHEGAATNFALDH1A1SMN1; SMN2
SCHEMBL23000616 0.86 PDE4A (0.46) TNFALDH1A1SMN1; SMN2KMT2APDE4A
SCHEMBL26922976 0.84 ALDH1A1 (0.49) ACHEGAAALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 ACHE 3894/4885GAA 3323/4885TNF 1/4885

“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.