SCHEMBL7520364

SCHEMBL7520364

O=C(O)COc1cccc2c1OCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.46
LTB4R2 Q9NPC1 9/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7522216 0.86 PARP1 (0.50) ALDH1A1PTGDR2HPGDKDM4ETDP1
SCHEMBL10591734 0.85 MAPT (0.49) LTB4RLTB4R2MAPTALDH1A1RAB9A
SCHEMBL6836494 0.81 MAOB (0.55) MAPTALDH1A1RAB9AHPGDTDP1
SCHEMBL7383487 0.77 ABCB1 (0.52) ALDH1A1PTGDR2HPGDKDM4ETDP1
SCHEMBL768807 0.76 MAPT (0.55) MAPTALDH1A1HPGDKDM4E
SCHEMBL7972637 0.76 LTB4R (0.43) LTB4RLTB4R2MAPTALDH1A1RAB9A
SCHEMBL7525144 0.75 PTGDR2 (0.40) ALDH1A1PTGDR2HPGDKDM4ETDP1
SCHEMBL9124055 0.75 LTB4R (0.78) LTB4RLTB4R2
SCHEMBL28550871 0.74 MRGPRX4 (0.60) LTB4RLTB4R2ALDH1A1PTGDR2HPGD
SCHEMBL1839684 0.74 MRGPRX4 (0.63) LTB4RLTB4R2ALDH1A1PTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR LTB4R 25/4885LTB4R2 29/4885MAPT 4864/4885

“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.