SCHEMBL3980417

SCHEMBL3980417

COc1ccc(CN(CC(c2ccccc2)c2ccccc2)C[C@@H](C)COc2cccc(CC(=O)O)c2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 16/20 0.68
NR1H2 P55055 9/20 0.65
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
MAPT P10636 1/20 0.48
RXRA P19793 1/20 0.48
VHL P40337 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
SLC1A5 Q15758 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
SCHEMBL3980424 1.00 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MEN1NR1I2
Hydrochloric Acid SCHEMBL4268597 0.99 NR1H3 (0.67) NR1H3NR1H2ALDH1A1MEN1NR1I2
Hydrochloric Acid SCHEMBL4268603 0.99 NR1H3 (0.67) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL3980276 0.90 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL3979874 0.90 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MEN1NR1I2
Hydrochloric Acid SCHEMBL3981469 0.90 NR1H3 (0.67) NR1H3NR1H2ALDH1A1MEN1NR1I2
Hydrochloric Acid SCHEMBL3981478 0.90 NR1H3 (0.67) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL3981394 0.88 NR1H3 (0.76) NR1H3NR1H2ALDH1A1MEN1NR1I2
SCHEMBL3981390 0.88 NR1H3 (0.76) NR1H3NR1H2ALDH1A1MEN1NR1I2
Hydrochloric Acid SCHEMBL3981164 0.87 NR1H3 (0.75) NR1H3NR1H2ALDH1A1MEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US claimed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US claimed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 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-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA NR1H3 1/4885NR1H2 2/4885ALDH1A1 905/4885

“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.