SCHEMBL9809366

SCHEMBL9809366

CC(C)(C)OC(=O)c1ccc(NCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
STAT3 P40763 2/20 0.45
TMPRSS6 Q8IU80 4/20 0.42
F2 P00734 4/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
LMNA P02545 2/20 0.41
SCN5A Q14524 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL10702473 0.91 POLB (0.47) POLBCA1CA2CA12CA9
SCHEMBL10698745 0.90 POLB (0.46) POLBCA1CA2CA12CA9
SCHEMBL10697987 0.88 PRSS1 (0.45) POLBCA1CA2CA12CA9
SCHEMBL10700833 0.88 PRSS1 (0.45) POLBCA1CA2CA12CA9
SCHEMBL1206152 0.87 CA1 (0.49) POLBCA1CA2CA12CA9
SCHEMBL10699417 0.86 SCN5A (0.46) POLBCA1CA2CA12CA9
SCHEMBL22661373 0.86 POLB (0.50) POLBCA1CA2CA12CA9
SCHEMBL21659729 0.83 POLB (0.68) POLBCA1CA2CA12CA9
SCHEMBL22940491 0.83 POLB (0.72) POLBCA1CA2CA12CA9
SCHEMBL23619645 0.82 CA1 (0.47) POLBCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
EP-0283563-B1 NOVEL DERIVATIVES BEECHAM GROUP PLC (GB) 1991-05-29 EP disclosed
EP-0155388-B1 ENZYME-PROTEIN CONJUGATE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL USE THEREOF BEECHAM GROUP PLC (GB) 1989-03-29 EP disclosed
EP-0283563-A2 Novel derivatives BEECHAM GROUP PLC (GB) 1988-09-28 EP disclosed
US-4741903-A Novel enzyne derivatives BEECHAM GROUP P.L.C. (GB) 1988-05-03 US disclosed
US-4730050-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1988-03-08 US disclosed
US-4600580-A Novel enzyme derivatives BEECHAM GROUP P.L.C. (GB) 1986-07-15 US disclosed
EP-0155388-A2 Enzyme-protein conjugate, process for its preparation and pharmaceutical use thereof BEECHAM GROUP PLC (GB) 1985-09-25 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 POLB 2452/4885CA1 3559/4885CA2 2994/4885

“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.