SCHEMBL5459262

SCHEMBL5459262

COC(=O)[CH]c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PLK1 P53350 1/20 0.47
ALDH1A1 P00352 2/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
MMP3 P08254 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
BACE1 P56817 1/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GCGR P47871 2/20 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
SCHEMBL5292811 0.83 HDAC8 (0.64) MTNR1AMTNR1BHDAC8HDAC6PLK1
Acrylic Acid Methyl Ester SCHEMBL28106400 0.80 MTNR1A (0.48) MTNR1AMTNR1BHDAC8HDAC6PLK1
SCHEMBL3245346 0.79 MTNR1A (0.57) MTNR1AMTNR1BHDAC8HDAC6PLK1
SCHEMBL6018154 0.79 PLK1 (0.56) MTNR1AMTNR1BHDAC8HDAC6PLK1
SCHEMBL28312715 0.78 MTNR1A (0.56) MTNR1AMTNR1BHDAC8HDAC6PLK1
SCHEMBL1086540 0.77 GRIN2D (0.53) MTNR1AMTNR1BHDAC8HDAC6PLK1
SCHEMBL5651919 0.77 NR4A1 (0.55) MTNR1AMTNR1BHDAC8HDAC6ALDH1A1
SCHEMBL15913822 0.76 MAPT (0.56) MTNR1AMTNR1BHDAC8HDAC6ALDH1A1
SCHEMBL29489353 0.76 MAPT (0.56) MTNR1AMTNR1BHDAC8HDAC6ALDH1A1
Cyclopropane SCHEMBL11853273 0.76 HDAC8 (0.51) MTNR1AMTNR1BHDAC8HDAC6PLK1

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
CN-103319712-A Triazine ring-containing polymer and film-forming composition comprising same NISSAN CHEMICAL IND LTD 2013-09-25 CN disclosed
CN-102731387-A A salt for dye SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed
CN-102459415-A Triazine ring-containing polymer and film-forming composition containing same NISSAN CHEMICAL IND LTD 2012-05-16 CN disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 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 (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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 MTNR1A 82/4885MTNR1B 114/4885HDAC8 799/4885

“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.