SCHEMBL3980308

SCHEMBL3980308

COc1ccc(CN(CCC(C)Oc2cccc(CC(=O)O)c2)CC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 17/20 0.76
NR1H2 P55055 9/20 0.65
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
RXRA P19793 1/20 0.47
VHL P40337 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3980302 1.00 NR1H3 (0.76) NR1H3NR1H2ALDH1A1MAPTRECQL
Hydrochloric Acid SCHEMBL3982514 0.99 NR1H3 (0.75) NR1H3NR1H2ALDH1A1MAPTRECQL
Hydrochloric Acid SCHEMBL3982512 0.99 NR1H3 (0.75) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3981395 0.91 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3980254 0.88 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3980248 0.88 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3980072 0.87 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3985418 0.87 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL
Hydrochloric Acid SCHEMBL3985424 0.87 NR1H3 (0.67) NR1H3NR1H2ALDH1A1MAPTRECQL
SCHEMBL3985423 0.87 NR1H3 (0.68) NR1H3NR1H2ALDH1A1MAPTRECQL

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-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

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.