SCHEMBL623491

SCHEMBL623491

CCOC(=O)COC1CCOc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SSTR4 P31391 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL624499 0.82 PTGDR2 (0.40) SSTR4RAB9ANPC1ALOX15
SCHEMBL3596582 0.79 POLB (0.45) POLBSSTR4KDM4ETSHRRAB9A
SCHEMBL29960371 0.79 POLB (0.45) POLBSSTR4KDM4ETSHRRAB9A
SCHEMBL11258276 0.77 FFAR1 (0.46) TSHRGAACYP1A2ALDH1A1
SCHEMBL7300865 0.76 SSTR4 (0.42) SSTR4GAACYP1A2CYP2C19
SCHEMBL27720908 0.76 SSTR4 (0.40) SSTR4TSHRGAACYP1A2ALDH1A1
SCHEMBL22325514 0.76 TSHR (0.46) POLBKDM4ETSHRRAB9ANPC1
SCHEMBL16746673 0.76 SSTR4 (0.38) POLBSSTR4KDM4ETSHRGAA
SCHEMBL15825182 0.75 ALDH1A1 (0.50) KDM4EGAAL3MBTL1ALDH1A1MEN1
SCHEMBL30812977 0.74 POLB (0.44) POLBSSTR4KDM4EGAA

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-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 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 (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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G POLB 3044/4885SSTR4 1466/4885KDM4E 1537/4885

“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.