SCHEMBL7168307

SCHEMBL7168307

OC(O)=CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GRIK1 P39086 1/20 0.49
GPR52 Q9Y2T5 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 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
SCHEMBL29550662 0.81 TDP1 (0.46) TDP1GRIK1GPR52ALDH1A1HPGD
SCHEMBL105976 0.81 TRPV1 (0.51) TDP1GRIK1GPR52ALDH1A1HPGD
SCHEMBL6053648 0.81 TDP1 (0.46) TDP1GRIK1GPR52ALDH1A1HPGD
SCHEMBL7639052 0.81 TDP1 (0.46) TDP1GRIK1GPR52ALDH1A1HPGD
SCHEMBL6064624 0.78 GPR52 (0.50) TDP1GRIK1GPR52SIGMAR1
SCHEMBL6948490 0.78 ALDH1A1 (0.45) TDP1GRIK1GPR52ALDH1A1HPGD
SCHEMBL8218335 0.78 GRIK1 (0.56) TDP1GRIK1GPR52ALDH1A1KEAP1
SCHEMBL22607727 0.78 GRIK1 (0.56) TDP1GRIK1GPR52ALDH1A1KEAP1
SCHEMBL19359298 0.78 GPR52 (0.50) TDP1GRIK1GPR52SIGMAR1
SCHEMBL28405806 0.78 GRIK1 (0.44) TDP1GRIK1GPR52ALDH1A1HPGD

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-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 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-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 TDP1 1595/4885GRIK1 1587/4885GPR52 1057/4885

“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.