SCHEMBL566294

SCHEMBL566294

CCCCCCC#Cc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
ABHD6 Q9BV23 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL566477 0.94 ESR1 (0.44) ESR1ESR2FFAR1FFAR4MMP2
SCHEMBL565064 0.79 ESR1 (0.58) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL773477 0.76 ESR1 (0.67) ESR1ESR2DRD2DRD3HDAC8
SCHEMBL566403 0.72 FAAH (0.51) ESR1ESR2
SCHEMBL14100712 0.72 ESR2 (0.72) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL7636939 0.71 ESR1 (0.67) ESR1ESR2DRD2DRD3ABHD6
SCHEMBL3893409 0.71 ESR1 (0.75) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL8176145 0.70 ESR2 (1.00) ESR1ESR2DRD2DRD3HDAC8
SCHEMBL6931755 0.70 TNK2 (0.47) FFAR1FFAR4MMP2MMP12PRKCG
SCHEMBL25206226 0.69 ESR2 (0.76) ESR1ESR2HDAC8HDAC6ABHD6

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 ESR1 1004/4885ESR2 958/4885FFAR1 129/4885

“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.