SCHEMBL105394

SCHEMBL105394

CC(C)OC1CCCCC1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8970409 0.98 GSR (0.44) GSRCA1CA2CA4NPY1R
SCHEMBL8970155 0.98 GSR (0.44) GSRCA1CA2CA4NPY1R
SCHEMBL23107037 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL23108731 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL23114343 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL23114340 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL23114342 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL8970109 0.95 GSR (0.38) GSRCA1CA2CA4NPY1R
SCHEMBL804681 0.85
SCHEMBL10111314 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4254288-A OF ALICYCLICS TO AROMATICS; CATALYST OF PALLADIUM, SODIUM CARBONATE, SULFUR COALITE GROUP LIMITED (GB) 1981-03-03 US claimed
US-4241225-A FULLER'S EARTH AS CATALYST COALITE AND CHEMICAL PRODUCTS LIMITED (GB) 1980-12-23 US claimed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed
US-4254288-A OF ALICYCLICS TO AROMATICS; CATALYST OF PALLADIUM, SODIUM CARBONATE, SULFUR COALITE GROUP LIMITED (GB) 1981-03-03 US disclosed
US-4241225-A FULLER'S EARTH AS CATALYST COALITE AND CHEMICAL PRODUCTS LIMITED (GB) 1980-12-23 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 GSR 1970/4885CA1 4389/4885CA2 3206/4885

“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.