SCHEMBL12817705

SCHEMBL12817705

CC1CCC[C]1CCC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
DAO P14920 2/20 0.33
CEL P19835 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2339292 0.94 KMT2A (0.42) CA1CA2CA4CYP1A2KMT2A
SCHEMBL4745184 0.94 CA1 (0.32) CA1CA2CA4KMT2A
SCHEMBL258092 0.76
SCHEMBL466376 0.74 CA1 (0.43) CA1CA2CA4KMT2A
SCHEMBL258305 0.74 CA1 (0.43) CA1CA2CA4KMT2A
SCHEMBL258218 0.72 KMT2A (0.45) CA1CA2CA4CYP1A2KMT2A
SCHEMBL6564603 0.72 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL3291610 0.70 CA1 (0.48) CA1CA2CA4KMT2AGAA
SCHEMBL258148 0.70
SCHEMBL2554861 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
EP-2691413-B1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2014-12-24 EP disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
EP-2691413-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION Neurovive Pharmaceutical AB (SE) 2014-02-05 EP disclosed
WO-2012131377-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2012-10-04 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-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 CA1 2327/4885CA2 4035/4885CA4 2336/4885

“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.