SCHEMBL4828375

SCHEMBL4828375

CC(=O)OCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
ATM Q13315 1/20 0.67
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
TSHR P16473 3/20 0.64
KDM4E B2RXH2 3/20 0.62
POLB P06746 2/20 0.62
PKM P14618 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RECQL P46063 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL26728280 0.81 ATM (0.71) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL2540650 0.81 ATM (0.61) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL1092875 0.80 ATM (1.00) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL653025 0.80 PKM (0.87) ATMALDH1A1HPGDTSHRPKM
SCHEMBL4831672 0.78 ATM (0.72) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL1535157 0.78 ATM (0.72) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL13516975 0.78 MEN1 (0.83) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL102971 0.78 KDM4E (0.89) NPC1RAB9AATMMAPTHPGD
SCHEMBL2394331 0.78 NPC1 (0.69) NPC1RAB9AATMMAPTALDH1A1
SCHEMBL13516438 0.78 ALDH1A1 (0.76) NPC1RAB9AATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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 (2 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B NPC1 2500/4885RAB9A 1696/4885ATM 4703/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C NPC1 1529/4885RAB9A 1771/4885ATM 4712/4885

“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.