SCHEMBL7528817

SCHEMBL7528817

O=C(O)CCOc1cccc2c1CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTGIR P43119 1/20 0.41
PTGDR Q13258 1/20 0.41
S1PR5 Q9H228 5/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL8460122 0.93 LTB4R (0.49) ABCB1MRGPRX4ALDH1A1GAALTB4R
SCHEMBL7383487 0.85 ABCB1 (0.52) ABCB1MRGPRX4ALDH1A1GAAADRB2
SCHEMBL11127019 0.84 ABCB1 (0.53) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL28346647 0.83 ABCB1 (0.53) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL7519686 0.82 ALDH1A1 (0.65) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL28350332 0.81 KCNA3 (0.51) ABCB1MRGPRX4LMNAALDH1A1ADRB2
SCHEMBL10603137 0.80 ABCB1 (0.50) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL4817908 0.80 ABCB1 (0.50) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL10670494 0.80 ABCB1 (0.50) ABCB1MRGPRX4LMNAALDH1A1GAA
SCHEMBL28349703 0.80 ABCB1 (0.50) ABCB1MRGPRX4LMNAALDH1A1GAA

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 5 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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO 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 ABCB1 1932/4885MRGPRX4 82/4885LMNA 2418/4885

“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.