SCHEMBL7703871

SCHEMBL7703871

O=C1CC[C@@H]2CCCC[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
MT-CO2 P00403 2/20 0.33
ALOX5 P09917 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7703873 1.00 CA1 (0.37) CA1CA2CA4MAPTHPGD
SCHEMBL6903135 1.00 CA1 (0.37) CA1CA2CA4MAPTHPGD
SCHEMBL7706418 0.97 KMT2A (0.39) CA1CA2CA4MAPTHPGD
SCHEMBL1626353 0.95
SCHEMBL16691801 0.95
SCHEMBL12333841 0.90 CA1 (0.42) CA1CA2CA4MAPTHPGD
SCHEMBL120444 0.90 CA1 (0.42) CA1CA2CA4MAPTHPGD
SCHEMBL22397285 0.90 CA1 (0.42) CA1CA2CA4MAPTHPGD
SCHEMBL11955 0.90 CA1 (0.42) CA1CA2CA4MAPTHPGD
SCHEMBL895510 0.90 CA1 (0.42) CA1CA2CA4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
EP-0921125-B1 1,3,8-Triazaspiro[4,5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2002-01-30 EP disclosed
US-6043366-A USEFUL IN TREATING DISORDERS INVOLVING THE ORPHANIN FQ(A SEVENTEEN AMINO ACID LONG PEPTIDE) RECEPTOR. HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed
EP-0921125-A1 1,3,8-Triaza-spiro 4,5 decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP 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-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 CA1 4148/4885CA2 3802/4885CA4 4521/4885

“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.