SCHEMBL1631912

SCHEMBL1631912

Cc1ccc(C2(c3ccccc3F)CCCCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.41
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
SLC6A4 P31645 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1C Q13936 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PDE7A Q13946 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL1629725 0.99 HDAC4 (0.40) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL10042118 0.96 AKR1B1 (0.38) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL1630842 0.88 HDAC4 (0.43) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL401446 0.86 HDAC4 (0.44) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL401285 0.85 HDAC4 (0.43) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL1630834 0.83 PSEN1 (0.40) HDAC4SLC6A4
SCHEMBL1688045 0.80 KMT2A (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1688051 0.80 KMT2A (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL402395 0.78 RORC (0.48) ALDH1A1
SCHEMBL13853045 0.77 OPRM1 (0.41) OPRM1OPRK1LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA HDAC4 1962/4885GRIN1 174/4885GRIN2A 84/4885

“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.