SCHEMBL979156

SCHEMBL979156

Cc1cc(C2(c3ccc(I)cc3)CC3CCC2C3)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.51
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALOX5 P09917 1/20 0.37
HSD11B1 P28845 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL899767 0.92 ALOX5AP (0.55) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL12920588 0.82 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1
SCHEMBL12920599 0.82 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1
SCHEMBL12920590 0.82 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1
SCHEMBL790026 0.75 ALOX5AP (0.45) ALOX5APHSD11B1LMNATDP1
SCHEMBL12286910 0.75 ALOX5AP (0.51) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL12954721 0.74 ALOX5AP (0.63) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL259032 0.74 ALOX5AP (0.63) ALOX5APESR1ESR2ALOX5HSD11B1
SCHEMBL12948105 0.74 ALOX5AP (0.56) ALOX5APESR2ALOX5HSD11B1KMT2A
SCHEMBL2247662 0.69 ALOX5AP (0.45) ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S ALOX5AP 47/4885ESR1 3802/4885ESR2 1768/4885

“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.