SCHEMBL2054476

SCHEMBL2054476

COC(=O)c1cc(C(C)=O)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 6/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43

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
SCHEMBL821898 0.89 KDM4E (0.59) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL30928356 0.87 KDM4E (0.53) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL3117994 0.87 KDM4E (0.53) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL11814596 0.86 ALDH1A1 (0.45) HDAC8ALDH1A1MAPTGAAKDM4E
SCHEMBL15543469 0.85 TDP1 (0.52) HDAC8ALDH1A1MAPTGAAKDM4E
SCHEMBL1170268 0.85 KDM4E (0.47) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL28024788 0.84 HDAC8 (0.44) HDAC8ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14108189 0.82 PLK1 (0.49) HDAC8ALDH1A1MAPTGAAKDM4E
SCHEMBL1669169 0.82 CYP2A6 (0.48) HDAC8MAPTHPGDTDP1SMN1; SMN2
SCHEMBL31258831 0.81 CA12 (0.65) ALDH1A1MAPTGAAKDM4EGLA

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-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G HDAC8 1419/4885ALDH1A1 1434/4885MAPT 3289/4885

“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.