SCHEMBL880277

SCHEMBL880277

O=C1CC(c2ccccc2Cl)c2cc3c(cc2N1)OCCO3

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.69
LMNA P02545 6/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
TP53 P04637 6/20 0.67
SMN1; SMN2 Q16637 7/20 0.65
MAPK1 P28482 5/20 0.65
NPSR1 Q6W5P4 4/20 0.65
ALOX15 P16050 1/20 0.65
POLB P06746 3/20 0.61
HTT P42858 1/20 0.61
THRB P10828 1/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL10280606 0.92 SMN1; SMN2 (0.65) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL10090742 0.83 TP53 (0.76) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL880282 0.81 TSHR (1.00) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL10280619 0.80 ALDH1A1 (0.50) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL880460 0.80 KMT2A (0.64) LMNAALDH1A1TP53SMN1; SMN2ALOX15
SCHEMBL21643939 0.79 TSHR (1.00) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL21667414 0.77 SMN1; SMN2 (0.65) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL15289661 0.76 ALDH1A1 (1.00) TSHRLMNAALDH1A1HPGDTDP1
SCHEMBL10090752 0.75 LMNA (0.76) TSHRLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL10280607 0.74 TSHR (0.87) TSHRLMNAALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TSHR 3894/4885LMNA 525/4885ALDH1A1 171/4885

“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.