SCHEMBL400550

SCHEMBL400550

c1ccc(COc2ccc(C34CCCCC3Oc3ccccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
NR4A2 P43354 3/20 0.46
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
RORC P51449 1/20 0.41
KDM1A O60341 1/20 0.39
FOXM1 Q08050 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAOB P27338 1/20 0.38
FDFT1 P37268 1/20 0.38

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
SCHEMBL401821 0.99 RXRA (0.47) RXRANR4A2CA2CA5ARORC
SCHEMBL398475 0.87 RXRA (0.47) RXRANR4A2CA2CA5ARORC
SCHEMBL15061031 0.84 KMT2A (0.45) RXRANR4A2CYP2D6GRIN2DGRIN3B
SCHEMBL400524 0.84 RORC (0.42) RXRANR4A2CA2CA5ARORC
SCHEMBL13885429 0.80 RXRA (0.47) RXRANR4A2
SCHEMBL401112 0.79 RXRA (0.48) RXRANR4A2
SCHEMBL1632014 0.78 RXRA (0.47) RXRANR4A2
SCHEMBL1629503 0.77 RXRA (0.48) RXRANR4A2
SCHEMBL399556 0.74 RORC (0.45) RORCKDM1AFOXM1CYP2D6HRH3
SCHEMBL10042120 0.74 RXRA (0.46) RXRANR4A2MAOB

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
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 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 (2 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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885CA2 2429/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RXRA 35/4885NR4A2 94/4885CA2 2429/4885

“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.