SCHEMBL668927

SCHEMBL668927

CCCCCCC1CC1(CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
P2RX7 Q99572 1/20 0.47
HDAC3 O15379 5/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL668809 0.95 P2RX7 (0.49) NAAAP2RX7HDAC3LMNACYP1A2
SCHEMBL668810 0.81 P2RX7 (0.50) P2RX7HDAC3LMNARAB9AHDAC1
SCHEMBL20216434 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL8204741 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL1002638 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL1003239 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL1002305 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL421014 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL1004555 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2
SCHEMBL28927370 0.71 NAAA (1.00) NAAAHDAC3HTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA NAAA 358/4885P2RX7 4266/4885HDAC3 3764/4885

“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.