SCHEMBL3619623

SCHEMBL3619623

CCOC(=O)C1CCN(C(=O)OC)CC12OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18095946 0.88 EPHX1 (0.37) ALDH1A1GAATSHRCYP3A4CYP2C19
SCHEMBL14430918 0.88 THRB (0.36) MAPTALDH1A1GAATHRBATM
SCHEMBL3622678 0.82 EPHX1 (0.40) ALDH1A1TSHRCYP3A4CYP2C19CYP2D6
SCHEMBL14430917 0.80 EPHX1 (0.36) ALDH1A1CYP2D6CYP2C9
SCHEMBL27766729 0.80 MAPT (0.43) MAPTALDH1A1GAATHRBATM
SCHEMBL3616921 0.75 EPHX1 (0.38) MAPTALDH1A1GAATSHRCYP3A4
SCHEMBL9403502 0.72 ALDH1A1 (0.38) MAPTALDH1A1GAACYP3A4CYP2C19
SCHEMBL3497278 0.71 MAPT (0.66) MAPTALDH1A1GAAL3MBTL1TSHR
SCHEMBL727442 0.71 ALDH1A1 (0.40) MAPTALDH1A1CYP3A4CYP2C19POLB
SCHEMBL30108302 0.66 POLB (0.38) ALDH1A1TSHRCYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
EP-0000338-B1 ISOXAZOLO(5,4-C)PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM H.Lundbeck & Co., A/S (DK) 1981-11-25 EP disclosed
US-4301287-A FOR TREATMENT OF PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK & CO. A/S (DK) 1981-11-17 US disclosed
US-4278676-A NERVOUS SYSTEM DISORDERS, CYCLIZATION, HYDROLYSIS H. LUNDBECK & CO. A/S (DK) 1981-07-14 US disclosed
EP-0028017-A1 3-Piperidinone-4-carboxylic acid derivatives H.Lundbeck & Co., A/S (DK) 1981-05-06 EP disclosed
EP-0027279-A1 Isoxazolo(5,4-C)pyridines H.Lundbeck & Co., A/S (DK) 1981-04-22 EP disclosed
EP-0000338-A2 Isoxazolo(5,4-c)pyridine derivatives, their preparation and pharmaceutical compositions containing them H.Lundbeck & Co., A/S (DK) 1979-01-24 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS MAPT 3009/4885ALDH1A1 1828/4885GAA 717/4885

“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.