SCHEMBL4424596

SCHEMBL4424596

CC(=O)c1cccc(-c2ccc3c(c2)CCC3=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.67
PARP11 Q9NR21 1/20 0.67
TDP2 O95551 3/20 0.60
HSD17B1 P14061 4/20 0.56
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
CHEK1 O14757 1/20 0.51
PGR P06401 1/20 0.46
DHFR P00374 1/20 0.45
HDAC2 Q92769 1/20 0.45
BAZ2B Q9UIF8 1/20 0.43
MAPK14 Q16539 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL17540279 0.86 HSD17B1 (0.66) PARP10PARP11TDP2HSD17B1CYP1A2
SCHEMBL8253223 0.82 NPC1 (0.61) PARP10PARP11HSD17B1BAZ2BNPC1
SCHEMBL28655414 0.79 HSD17B1 (0.78) PARP10PARP11HSD17B1CYP1A2CYP11B1
SCHEMBL13680642 0.78 PARP10 (0.64) PARP10PARP11HSD17B1CYP1A2CYP11B1
SCHEMBL1745161 0.77 HSD17B1 (0.71) PARP10PARP11TDP2HSD17B1CYP1A2
SCHEMBL10389918 0.77 MAP4K4 (0.59) PARP10PARP11TDP2CHEK1PGR
SCHEMBL3309000 0.76 TDP2 (0.60) PARP10PARP11TDP2CYP1A2CYP11B1
SCHEMBL6192593 0.75 PARP10 (0.64) PARP10PARP11TDP2HSD17B1CYP1A2
SCHEMBL4424918 0.75 HSD17B1 (0.68) TDP2HSD17B1CYP1A2CYP11B1CYP11B2
SCHEMBL3989386 0.75 CASP1 (0.66) PARP10PARP11TDP2HSD17B1CYP1A2

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 4 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-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 PARP10 1176/4885PARP11 1124/4885TDP2 4111/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 PARP10 2334/4885PARP11 1709/4885TDP2 4497/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 PARP10 1904/4885PARP11 1253/4885TDP2 4352/4885

“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.