SCHEMBL1688019

SCHEMBL1688019

CCCCOc1ccc(C2(c3ccccc3F)CCCCC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.42
PDK2 Q15119 4/20 0.39
FAAH O00519 2/20 0.38
NCEH1 Q6PIU2 1/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL1688040 0.99 MEN1 (0.46) MEN1KMT2ATSHRPDK2FAAH
SCHEMBL1688042 0.90 MEN1 (0.45) MEN1KMT2ATSHRPDK2SLC6A4
SCHEMBL1688027 0.86 MEN1 (0.42) MEN1KMT2ATSHRFAAHSLC6A4
SCHEMBL399556 0.84 RORC (0.45) KMT2APDK2SLC6A3CYP2D6RAB9A
SCHEMBL398866 0.83 RORC (0.44) KMT2APDK2SLC6A3CYP2D6RAB9A
SCHEMBL1630211 0.81 SLC6A3 (0.38) SLC6A4SLC6A3
SCHEMBL1630796 0.80 SLC6A3 (0.37) MEN1KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL15436406 0.80 HDAC4 (0.38) SLC6A4SLC6A3
SCHEMBL401435 0.80 HDAC4 (0.38) SLC6A4SLC6A3
SCHEMBL440243 0.78 ESR1 (0.39) PDK2SLC6A4SLC6A3

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
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-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 US disclosed
WO-2009055734-A1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2009-04-30 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 (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 MEN1 4007/4885KMT2A 3545/4885TSHR 178/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA MEN1 4007/4885KMT2A 3545/4885TSHR 178/4885

“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.