SCHEMBL7220291

SCHEMBL7220291

Cc1cccc2c1C(C(=O)O)CC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
KIF11 P52732 1/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
MYC P01106 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA4 P13612 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL25815906 0.80 KIF11 (0.39) KIF11EDNRBEDNRAALDH1A1HSD17B10
SCHEMBL30356308 0.80 KIF11 (0.39) KIF11EDNRBEDNRAALDH1A1HSD17B10
SCHEMBL13938126 0.80 ACHE (0.45) ACHEEDNRBEDNRAMAPTALDH1A1
SCHEMBL9729821 0.75 MAPT (0.34) MAPTALDH1A1HSD17B10KDM4EEPHX2
SCHEMBL28808431 0.73 ALDH1A1 (0.44) EDNRBEDNRAITGB1ITGA5MYC
SCHEMBL28850201 0.72 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1HSD17B10KDM4E
SCHEMBL916737 0.72 ALDH1A1 (0.53) EDNRBEDNRAALDH1A1HSD17B10KDM4E
SCHEMBL19157690 0.71 ACHE (0.41) ACHEMAPTKDM4E
SCHEMBL7155154 0.71 CYP19A1 (0.48) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL27864838 0.70 MAOB (0.40) ACHEEDNRBEDNRAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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 (2 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ACHE 1882/4885KIF11 2909/4885EDNRB 240/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ACHE 1882/4885KIF11 2909/4885EDNRB 240/4885

“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.