SCHEMBL128463

SCHEMBL128463

[CH2]c1ccc(C(C)(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
AR P10275 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
OPRD1 P41143 1/20 0.33
TNKS O95271 4/20 0.33

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
SCHEMBL196799 0.85 MEN1 (0.48) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL128571 0.77 ESR1 (0.39) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL547767 0.77 KIF11 (0.44) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL10620533 0.77 LMNA (0.60) MEN1KMT2AHPGDHSD17B10TSHR
SCHEMBL8985984 0.77 MEN1 (0.42) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL4850356 0.77 ESR1 (0.60) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL18802754 0.77 KIF11 (0.44) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL52644 0.77 TSHR (0.55) HPGDHSD17B10TSHRLMNATYR
SCHEMBL6933899 0.77 ESR1 (0.50) MEN1KMT2AHSD11B1ESR1ESR2
SCHEMBL23794954 0.74 TSHR (0.52) HPGDHSD17B10TSHRLMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US claimed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
US-5281625-A Benzyl substituted guanidine derivatives, salts, and metal complexes BASF AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0534501-A2 Fungicidal guanidines BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
US-5126374-A For plants, seeds, soils, effective at low concentrations BASF AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
EP-0406699-A2 Fungicidal guanidines BASF Aktiengesellschaft (DE) 1991-01-09 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 (3 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 MEN1 1981/4885KMT2A 423/4885HSD11B1 216/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MEN1 1602/4885KMT2A 552/4885HSD11B1 271/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MEN1 3295/4885KMT2A 3400/4885HSD11B1 184/4885

“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.