SCHEMBL822958

SCHEMBL822958

CCCCOC/C=C1\CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 6/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 2/20 0.31
EGFR P00533 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1042088 0.77 CCR6 (0.44) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1237323 0.77 CCR6 (0.44) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL25320364 0.77 CCR6 (0.44) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL440372 0.75 PRKCA (0.40) RAB9ATP53KDM4E
SCHEMBL440371 0.75 PRKCA (0.40) RAB9ATP53KDM4E
SCHEMBL20608590 0.75 PRKCA (0.40) RAB9ATP53KDM4E
SCHEMBL809520 0.74 EGFR (0.40) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL812328 0.74 PRKCA (0.42) ALOX5
SCHEMBL6897541 0.74 PRKCA (0.42) ALOX5
SCHEMBL20608618 0.74 PRKCA (0.42) ALOX5

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-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 MAPT 4442/4885NPC1 902/4885HPGD 868/4885

“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.