SCHEMBL4430144

SCHEMBL4430144

N#Cc1ccc(-c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.63
PGR P06401 3/20 0.59
HRH3 Q9Y5N1 5/20 0.52
GRM5 P41594 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 1/20 0.46
HSD17B3 P37058 1/20 0.45
PRF1 P14222 1/20 0.45
MIF P14174 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43

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
SCHEMBL1031985 0.86 GRM5 (0.62) HSD17B1PGRGRM5CYP11B1CYP11B2
SCHEMBL29741348 0.86 GRM5 (0.62) HSD17B1PGRGRM5CYP11B1CYP11B2
SCHEMBL4423216 0.86 PGR (0.56) HSD17B1PGRHRH3GRM5CYP1A2
SCHEMBL28655414 0.84 HSD17B1 (0.78) HSD17B1PGRHRH3GRM5CYP1A2
SCHEMBL385683 0.80 MAOB (0.59) PGRHRH3GRM5MAOAMAOB
SCHEMBL1745161 0.79 HSD17B1 (0.71) HSD17B1PGRHRH3GRM5CYP1A2
SCHEMBL1030949 0.77 HSD17B1 (1.00) HSD17B1PGRGRM5CYP1A2CYP11B1
SCHEMBL1747435 0.77 HSD17B1 (0.69) HSD17B1PGRGRM5CYP1A2CYP11B1
SCHEMBL1746656 0.77 HSD17B1 (0.69) HSD17B1PGRGRM5CYP1A2CYP11B1
SCHEMBL1745120 0.77 HSD17B1 (0.69) HSD17B1PGRHRH3GRM5CYP1A2

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-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-20070066628-A1 5-Aryl-indan-1-ol 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 (4 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-20070066628-A1 5-Aryl-indan-1-ol and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HSD17B1 113/4885PGR 1/4885HRH3 574/4885
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR HSD17B1 146/4885PGR 1/4885HRH3 532/4885
US-20090325916-A1 5-ARYL INDAN-1-ONE AND ANALOGS USEFUL AS PROGESTERONE RECEPTOR MODULATORS CYP19A1, PGR, NR5A1 HSD17B1 58/4885PGR 2/4885HRH3 1705/4885
US-20080119537-A1 5-Aryl indan-1 one and analogs useful as progesterone receptor modulators CYP19A1, PGR, NR5A1 HSD17B1 64/4885PGR 2/4885HRH3 1756/4885

“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.