SCHEMBL4183347

SCHEMBL4183347

CCCCOC(=O)COC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ NPC1 O15118 4/20 0.71
▸ TDP2 O95551 3/20 0.71
▸ LMNA P02545 3/20 0.71
▸ RAB9A P51151 3/20 0.71
▸ NSD2 O96028 2/20 0.71
▸ PAX8 Q06710 2/20 0.71
▸ HTT P42858 2/20 0.71
▸ THRB P10828 1/20 0.71
▸ XBP1 P17861 1/20 0.71
▸ GALK1 P51570 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ ATM Q13315 1/20 0.71
▸ MAP3K5 Q99683 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 3/20 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
SCHEMBL4190274 0.72 LMNA (0.68) MAPTSMN1; SMN2NPC1TDP2LMNA
SCHEMBL28229224 0.69 TSHR (0.77) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL3500556 0.68 TSHR (0.81) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL28583046 0.68 LMNA (0.62) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL11220189 0.68 L3MBTL1 (0.52) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL28278039 0.67 SCN1A (0.61) SMN1; SMN2LMNATDP1POLBTSHR
SCHEMBL4196714 0.67 SMN1; SMN2 (0.67) MAPTSMN1; SMN2NPC1TDP2LMNA
Anthraquinone SCHEMBL28110119 0.66 ELANE (0.64) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL4196351 0.66 TDP2 (0.55) MAPTSMN1; SMN2TDP2LMNANSD2
SCHEMBL5154230 0.66 TSHR (0.65) MAPTLMNATHRBATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036441-A1 Indole Derivatives With Antitumor Activity CELL THERAPEUTICS EUROPE S.R.L. (IT) 2009-02-05 — — 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-20090036441-A1 Indole Derivatives With Antitumor Activity IDO1, IDO2, INMT MAPT 2732/4885SMN1; SMN2 4350/4885NPC1 2846/4885

“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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