SCHEMBL7525616

SCHEMBL7525616

CCOC(=O)CCOc1cccc2c1CCCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.52
TSHR P16473 3/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRB3 P13945 1/20 0.49
SLC6A4 P31645 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
LTB4R Q15722 3/20 0.45
LTB4R2 Q9NPC1 3/20 0.45
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7519686 0.93 ALDH1A1 (0.65) ALDH1A1GAAMRGPRX4TSHRADRB2
SCHEMBL7523481 0.86 ALDH1A1 (0.64) ALDH1A1GAAMRGPRX4TSHRADRB2
SCHEMBL5353946 0.82 MRGPRX4 (0.52) ALDH1A1GAAMRGPRX4TSHRADRB2
SCHEMBL13481244 0.82 MRGPRX4 (0.54) ALDH1A1MRGPRX4TSHRADRB2ADRB1
SCHEMBL5270656 0.81 MRGPRX4 (0.56) ALDH1A1GAAMRGPRX4TSHRADRB2
SCHEMBL7517734 0.79 ALDH1A1 (0.44) ALDH1A1GAATSHRBRD4KDM4E
SCHEMBL7522357 0.77 ALDH1A1 (0.44) ALDH1A1GAATSHRBRD4KDM4E
SCHEMBL7663445 0.77 MRGPRX4 (0.56) ALDH1A1MRGPRX4TSHRADRB2ADRB1
SCHEMBL28986027 0.76 MRGPRX4 (0.54) MRGPRX4TSHRADRB2ADRB1HTR1A
SCHEMBL30317439 0.76 MRGPRX4 (0.54) MRGPRX4TSHRADRB2ADRB1HTR1A

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 ALDH1A1 1662/4885GAA 4866/4885MRGPRX4 82/4885

“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.