SCHEMBL13329936

SCHEMBL13329936

CCN1C(=O)CC[C@H]1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
P2RX7 Q99572 7/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL18576422 1.00 PIK3CD (0.37) PIK3CDP2RX7KMT2A
SCHEMBL13329931 1.00 PIK3CD (0.37) PIK3CDP2RX7KMT2A
SCHEMBL22114509 0.89 PIK3CD (0.39) PIK3CDP2RX7KMT2A
SCHEMBL2035159 0.82 P2RX7 (0.35) P2RX7KMT2A
SCHEMBL19686585 0.79 PIK3CD (0.39) PIK3CD
SCHEMBL22833695 0.77 TSHR (0.42) PIK3CD
SCHEMBL19186458 0.76 CHRM2 (0.34) P2RX7KMT2A
SCHEMBL24434648 0.74 TP53 (0.50)
SCHEMBL22833713 0.74 TP53 (0.46) KMT2A
SCHEMBL27112747 0.73 P2RX7 (0.35) P2RX7KMT2A

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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 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 (2 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B PIK3CD 1813/4885P2RX7 1316/4885KMT2A 2306/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PIK3CD 1022/4885P2RX7 2488/4885KMT2A 3803/4885

“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.