SCHEMBL3979984

SCHEMBL3979984

CC(C)c1ccc(CN(CC(c2ccccc2)c2ccccc2)C[C@@H](C)COc2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 18/20 0.68
NR1H2 P55055 9/20 0.68
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.50
VHL P40337 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3981390 0.91 NR1H3 (0.76) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL3981394 0.91 NR1H3 (0.76) NR1H3NR1H2MEN1NR1I2ALDH1A1
Hydrochloric Acid SCHEMBL3981164 0.90 NR1H3 (0.75) NR1H3NR1H2MEN1NR1I2ALDH1A1
Hydrochloric Acid SCHEMBL3981160 0.90 NR1H3 (0.75) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL3985623 0.85 NR1H3 (0.69) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL3985629 0.85 NR1H3 (0.69) NR1H3NR1H2MEN1NR1I2ALDH1A1
Hydrochloric Acid SCHEMBL3976824 0.85 NR1H3 (0.68) NR1H3NR1H2MEN1NR1I2ALDH1A1
Hydrochloric Acid SCHEMBL3976831 0.85 NR1H3 (0.68) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL3981389 0.84 NR1H3 (0.58) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL3975594 0.84 NR1H3 (0.72) NR1H3NR1H2MEN1NR1I2ALDH1A1

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 7 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 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
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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 2/4885MEN1 3402/4885

“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.