SCHEMBL4552528

SCHEMBL4552528

CCCCCc1ccc2c(c1)CCC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD17B1 P14061 2/20 0.46
GPR3 P46089 1/20 0.43
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL14495944 0.98 GPR3 (0.46) CASP1CASP7HSD17B10HSD17B1GPR3
SCHEMBL2015419 0.98 GPR3 (0.46) CASP1CASP7HSD17B10HSD17B1GPR3
SCHEMBL3238273 0.95 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL3827782 0.91 MAOA (0.48) HSD17B1GPR3KAT8PPARAMAOB
SCHEMBL2286696 0.89 MAOA (0.50) HSD17B1GPR3MAOBMAOA
SCHEMBL26970651 0.86 PBRM1 (0.45) HSD17B10GPR3KAT8PPARASLC6A2
SCHEMBL27844076 0.86 MAOA (0.52) HSD17B1MAOBMAOA
Fluoride SCHEMBL27510143 0.85 GPR3 (0.50) HSD17B10GPR3KAT8PPARADRD2
SCHEMBL3839761 0.82 PBRM1 (0.47) HSD17B10MAOBMAOAALDH1A1
SCHEMBL86398 0.82 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-12-31 US disclosed
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators WYETH (US) 2008-05-22 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-7319152-B2 Contraception, hormone replacement therapy, cycle-related symptoms, or benign or malignant neoplastic disease; -methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile WYETH (US) 2008-01-15 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 US disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 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 (3 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-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR CASP1 3506/4885CASP7 3503/4885HSD17B10 687/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 CASP1 3474/4885CASP7 4016/4885HSD17B10 361/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 CASP1 3066/4885CASP7 4142/4885HSD17B10 360/4885

“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.